Celestolide CAS 13171-00-1

Molecular Formula: C17H24O

Formula Weight: 244.37

ZSpharmac: Celestolide Supplier

Product Name: Celestolide

CAS No: 13171-00-1

Purity: 99%

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Basic Info

Product Name:	Celestolide
Other Names:	4-Acetyl-6-Tert-Butyl-1,1-Dimethylindan
CAS:	13171-00-1
Place of Origin:	Shandong, China
Brand Name:	ZSpharmac
Type:	Cosmetic Raw Materials
Appearance:	White Crystals Powder to Crystal
EINECS No.:	236-114-4
Storage:	Sealed in Dry,Room Temperature
Provide:	Celestolide MSDS； Celestolide COA

What is Celestolide?

Celestolide is an artificial musk with remarkable scent high quality and long-lasting stability. It comes from the two-membered ring indane substance. As a fragrance-preserving and antiperspirant, it is widely made use of in contemporary day-to-day chemical products. As well as it is deeply loved by perfumers in the fragrance sector.

As a hidden chiral ketone compound, Celestolide can be additional converted into a chiral substance (1R)-1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro- 1H-inden-4-yl) ethanol, as well as further resolution, but the existing reports on the alcoholization of Sally musk as well as the resolution after alcoholation are fairly unusual.

Celestolide Property

Melting point	68-70°C
Boiling point	117°C/0.6mmHg(lit.)
density	0.957±0.06 g/cm3(Predicted)
vapor pressure	0.05Pa at 24℃
storage temp.	Sealed in dry,Room Temperature
solubility	Chloroform (Slightly), DMSO (Slightly, Sonicated), Methanol (Slightly)
form	powder to crystal
color	White crystals
Water Solubility	3.29mg/L at 24℃

Application of Celestolide

With the sharp increase of individuals’s need for flavors, all-natural flavors based on extracts of numerous flowers and animals are far from meeting human needs. Up until the 1950s, synthetic musk, an alternative to all-natural musk, showed up. Synthetic musk slowly changed all-natural musk with its sophisticated scent, superb fragrance-fixing capability as well as affordable price, and was extensively utilized in cosmetics, washing products, In skin treatment products, fragrance and other items. Common synthetic musks can be divided right into three groups according to their chemical frameworks: nitro musk substances, polycyclic musk substances and macrocyclic musk compounds, and polycyclic musks are presently one of the most typically utilized artificial musks.

Invention of Celestolide

In order to further study Celestolide alcoholization and resolution after alcoholization, the present invention uses Celestolide ketone as a raw material, further reacts its latent chiral ketone group to obtain chiral hydroxyl neutrality, and then further resolves to obtain a hydroxy chiral center. single configuration compound.

The specific implementation process is as follows:

1) Under low temperature conditions, with alcohol as a solvent, add raw material salymuskone and sodium borohydride in a certain proportion, then keep low temperature conditions for reaction, and get 1-(6_tert-butyl-1,1-dimethyl- 2,3-dihydro-1H-inden-4-yl)ethanol;

2) In the organic solvent toluene, use the 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanol obtained in step 1) as raw material, press Add acyl donor, lipase, and racemization catalyst in a certain proportion, and perform a kinetic resolution reaction at a certain temperature to obtain (1R)-1-(6-tert-butyl-1,1-dimethyl-2, 3-dihydro-1H-inden-4-yl) acyl compounds of ethanol;

3) The acyl compound of (1R)-1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanol obtained in step 2) was added to the press In a mixed solution of tetrahydrofuran and lithium hydroxide prepared in a certain proportion, the reaction is carried out at room temperature, and the progress of the reaction is detected. After the reaction is completed, the pure product (1R)-1-(6-tert-butyl-1, 1-dimethyl-2,3_dihydro_1H_4_yl) ethanol, the optical purity of the final product can reach more than 99%; the acyl group donor described in step 2) is p-chlorophenol B Acid acid ester, its addition is 1.0～1.5 times of raw material 1-(6_tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl) ethanol molar weight The lipase described in step 2) is Pseudomonas fluorescens lipase Lipase AK, and its addition is raw material 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro- 1%～10% of 1H-inden-4-yl) ethanol mass; The racemization catalyst described in step 2) is solid superacid S042-_Fe2O3, its addition is raw material 1-(6-tert-butyl-1 , 1-dimethyl-2, 3-dihydro-1H-inden-4-yl) 5%~20% of the mass of ethanol.

The present invention uses Celestolide ketone as a raw material to obtain (1R)-1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-indene-4 through hydrogenation reduction and dynamic kinetic resolution. -yl) glycolyl compound, and then hydrolyzed to finally obtain (1R)-1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanol. The method has the characteristics of simple operation, high product yield, good optical purity, etc., and has great guidance and application value in the preparation research of Celestolide ketone derivatives.

Celestolide Specific Implementation

1) At 0°C, add 300ml of anhydrous methanol and 24.4g of Celestolide into the single-necked flask, stir for 15 minutes, then add 11.3g of sodium borohydride, after feeding, seal the flask with a balloon, keep the reaction at 0°C for 3 hours, and click The plate test shows that the reaction of salimus ketone is complete, stop the reaction; dilute the sodium borohydride with hydrochloric acid solution until no more bubbles emerge, distill the methanol and extract it with 100ml dichloromethane three times, combine the dichloromethane, dry and concentrate Celestolide 23.81g can be obtained with a yield of 96.8%.

2) In a constant temperature shaker, with a 200ml blue cap bottle as a reaction vessel, add 60ml of toluene, 12.3g of Celestolide, 11.0g of p-chlorophenol acetate, 0.7g of Pseudomonas fluorescens lipase Lipase AK, 2.0g Solid superacid SO42-_Fe2O3, feed intake is completed, be warmed up to 45 DEG C and react, after 11 hours, detect Celestolide disappears, be converted into (1R)-1-(6-tert-butyl-1,1-dimethyl-2 , 3-dihydro-1H-inden-4-yl) ethanol acetyl compound; the reaction solution was cooled, filtered and concentrated to obtain a crude product.

3) The crude product obtained in step 2) was added to 150ml of tetrahydrofuran, and 9g of lithium hydroxide was added, and stirred at room temperature to react for 24 hours, and the (1R)-1-(6-tert-butyl-1,1- Dimethyl-2,3-dihydro-1H-inden-4-yl) stop the reaction when the ethanol acetyl compound point disappears; after adding 150ml of water, the reaction solution is concentrated, tetrahydrofuran is evaporated, and the remaining The solution was extracted, separated, dried and concentrated to obtain a crude product containing Celestolide.

4) The crude product containing (1R)-1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanol obtained in step 3) was used in volume ratio A 10:1 mixed solution of petroleum ether and ethyl acetate was subjected to silica gel column chromatography. Finally, (1R)-1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanol 11.34g, yield 92.2% After testing, the ee value of the final product (1R)-1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanol was 99.4%.

About Products:
If you need Celestolide, a cosmetic raw material, please contact our service staff directly, and we will provide you with high-quality products at the best price.
As an experienced Celestolide manufacturer and supplier, ZSpharmac will provide Celestolide raw materials to customers all over the world for a long time.
Over the years, the company has been adhering to the spirit of “integrity management, strict quality control, customer first”, and has won unanimous praise from domestic and foreign customers.

Company Profile and Corporate Culture

Company Profile：

ZhiShang Chemical is owned by ZhiShang Group is a professional new-type chemicals enterprise combined into research and development, production and sales .

The company’s competitive product is pharmaceutical raw materials and intermediates (especially carbohydrate derivatives Series), In recent years, the company has made a major breakthrough in food and feed additives, plant extraction, industrial chemicals industry .

The company insists on the spirit of “sincere management, strict quality control, customer as god” , get consistent high praise from customers at home and abroad.

Corporate Culture：

OUR MISSION
Help China Chemicals to benefit the happiness of human life
OUR VISSION
Become the most trusted chemical supplier in the world
OUR BUSINESS PHILOSOPHY
Striver – oriented, enrich employees, customer first, deep service, seek development
OUR VALUES
Be prepared for danger in times of peace, forge ahead actively, unity and cooperation, and be brave to fight

About Us

The production base is located in Zhangqiu chemical industry park and Tai’an high-tech chemical industry park. laboratory and workshop in strict accordance with the GMP standard and the product fit national ISO9001 and ISO2000 standards.

“Zhishang” products are exported to Europe, North and South America, the Middle East, Asia Pacific and Africa area, so as to establish a long-term and stable cooperation relationship with customer in the world.

Company Info

Business Type: Manufacturer
Product Range: Cosmetic raw materials
Products/Service:Cosmetic raw materials (flavors and fragrances,antioxidant products, moisturizing and hydrating, whitening agents, cosmetic additives)
Total Employees: 51~100
Capital (Million US $): 10000000RMB
Year Established: 2016

Production Capacity

No. of Production Lines : 8
No. of QC Staff : 5 -10 People
OEM Services Provided : yes
Factory Size (Sq.meters) : 3,000-5,000 square meters
Certificate: ISO9001 , CE , GMP , API , MSDS
Factory Location : Diao Town Industry Park, Zhangqiu City, Jinan City, Shandong Province, China.

Service

Pre-Sales Service

* Prompt reply and 24 hours online, professional team to provide best price and high quality product.

* Sample testing support.

* Every batch of products will be tested to ensureits quality.

*The packing also can be according the customers` requirment.

*Any inquiries will be replied within 24 hours.

*we provide Commerical Invoice, Packing List, Bill of loading, COA , Health certificate and Origin certificate. If your markets have any special requirements, let us know.

After-Sales Service

*The fact of logistics information monitoring.

* Any questions about the product can be consulted at any time.

*Product has any problem can return.

FAQ

Do you accept sample order?

We will make samples before mass production, and after sample approved, we’ll begin mass production. Doing 100% inspection during production, then do random inspection before packing.

HOW TO CONFIRM THE PRODUCT QUALITY BEFORE PLACING ORDERS?

You can get free samples for some products,you only need to pay the shipping cost or arrange a courier to us and take the samples. You can send us your product specifications and requests,we will manufacture the products according to your requests.

What’s your MOQ?

Our MOQ is 1kg. But usually we accept less quantity such as 100g on the condition that sample charge is 100% paid.

Do you supply product report?

Yes. We’ll give you product analysis report before shipping.

Is there a discount?

Different quantity has different discount.

Shipping

1. ≤50kg, Express delivery recommended, usually called as DDU service;

2. ≤500kg, Air shipping recommended, usually called as FOB, CFR, or CIF service;

3. >500kg, sea shipping recommended, usually called as FOB, CFR, or CIF service;

4. For high value products, please select air shipping and express delivery for safe.