167465-99-8

Basic information

• Product Name: Carbamic acid, [(1S,3R)-3-hydroxycyclopentyl]-, 1,1-dimethylethyl ester (9CI)
• Synonyms: Carbamic acid, [(1S,3R)-3-hydroxycyclopentyl]-, 1,1-dimethylethyl ester (9CI);[(1S,3R)-3-Hydroxycyclopentyl]carbamic acid tert-butyl ester;(1R,3S)-3-aminocyclopentan-1-ol;(1S,3R)-tert-butyl(3-hydroxycyclopentyl)catbaMte;cis-tert-butyl-3-hydroxycyclopentylcarbamate;tert-butyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;tert-Butyl ((1S,3R);[(1S,3R)-3-hydroxycyclopentyl]-, 1,1-dimethylethyl ester
• CAS NO: 167465-99-8
• Molecular Formula: C₁₀H₁₉NO₃
• Molecular Weight: 201.26276
• Product Categories: N-BOC
• Mol File: 167465-99-8.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 321℃
• Flash Point: 148℃
• Appearance: /
• Density: 1.08
• Storage Temp.: 2-8°C
• PKA: 12.27±0.40(Predicted)
• CAS DataBase Reference: Carbamic acid, [(1S,3R)-3-hydroxycyclopentyl]-, 1,1-dimethylethyl ester (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Carbamic acid, [(1S,3R)-3-hydroxycyclopentyl]-, 1,1-dimethylethyl ester (9CI)(167465-99-8)
• EPA Substance Registry System: Carbamic acid, [(1S,3R)-3-hydroxycyclopentyl]-, 1,1-dimethylethyl ester (9CI)(167465-99-8)

Safety Data

• Hazardous Substances Data: 167465-99-8(Hazardous Substances Data)

Usage

General Description

Carbamic acid, [(1S,3R)-3-hydroxycyclopentyl]-, 1,1-dimethylethyl ester (9CI) is a chemical compound with the molecular formula C10H19NO3. It is an ester derivative of carbamic acid, which is commonly used in the production of pesticides and pharmaceuticals. The compound is an important intermediate in the synthesis of various organic compounds and is known for its potential pharmacological properties. It is also used as a chemical reagent in organic synthesis and research. The compound is a colorless and odorless liquid at room temperature and is stable under normal conditions. It is important to handle this chemical with care and follow proper safety protocols due to its potential health hazards.

Upstream product

• 108-05-4 vinyl acetate 
• 24424-99-5 di-tert-butyl dicarbonate 
• 154802-92-3 tert-butyl cis-N-[4-hydroxycyclopent-2-en-1-yl]carbamate 
• 189625-14-7 (2S,4R)-acetic acid 4-tert-butoxycarbonylaminocyclopent-2-enyl ester 
• 126924-22-9 (1S,4R,αR-)-3-(α-hydroxyphenylacetyl)-2-oxa-3-aza-bicyclo[2,2,1]hept-5-ene 
• 542-92-7 cyclopenta-1,3-diene 
• 1110772-05-8 (1R,3S)-3-aminocyclopentan-1-ol 
• 204913-01-9 1-[(3S,1R)-3-N-BOC-aminocyclopentyl]-1-ethanone 
• 99027-90-4 2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylic acidtert-butyl ester 
• 36016-38-3 tert-Butyl N-hydroxycarbamate 
• 225641-82-7 Acetic acid (1R,3S)-3-tert-butoxycarbonylamino-cyclopentyl ester 

Downstream Products

• 1279032-31-3 (1R,3S)-3-amino-1-cyclopentanol hydrochloride 
• 154737-89-0 tert-butyl ((1S,3S)-3-hydroxycyclopentyl)carbamate 

Relevant articles and documents

Method for preparing (1R, 3S)-3-aminocyclopentanol hydrochloride

The invention discloses a method for preparing (1R, 3S) 3-aminocyclopentanol hydrochloride, belongs to the field of organic chemical synthesis, and provides a process route to overcome the defects ofhigh price, difficulty in chiral control and the like in the prior art. The process route comprises the following steps: 1) oxidizing tert-butyl carbonate hydroxylamine into tert-butyl carbonate nitrosyl under the catalysis of copper chloride and 2-ethyl-2-oxazoline, then carrying out a hetero Diels-Alder reaction with cyclopentadiene in situ; 2) selectively reducing nitrogen-oxygen bonds in a zinc powder-acetic acid reaction system; 3) under the catalysis of lipase, reacting with vinyl acetate to optically and selectively realize chiral resolution; 4) reducing double bonds through palladium carbon hydrogenation; 5) under the alkaline condition of lithium hydroxide-methanol, performing deacetylation protection; and 6) removing tert-butyl carbonate protection in a hydrogen chloride isopropanol acid solution prepared from acetyl chloride and isopropanol in situ, and forming hydrochloride in situ to obtain a target product. The synthetic method has the beneficial effects that the synthetic method has the characteristics of novel and short route, high optical purity, low cost and the like.

Intermediate for preparing bictegravir and preparation method thereof

The invention relates to the technical field of a drug, and concretely relates to an intermediate for preparing bictegravir and a preparation method thereof. The present invention provides two novel types of compounds and three routes for preparation of a compound (VI). Through substrate induction, chiral catalysis or synergistic effect of substrate induction and chiral catalysis, the stereoselectivity of a Diels-Alder reaction can be greatly improved, and a high chiral purity of a common intermediate (III) can be obtained; cut-out of N-O bond and reduction the double bond use catalytic hydrogenation, which can be environmentally friendly; the reaction conditions are mild, the yield is higher than the existing preparation method, the method is economic and effective, and is adapted to large-scale industrial production.

SUBSTITUTED BENZAMIDES AND THEIR USES

Provided herein are Substituted Benzamides, compositions, and method of their manufacture and use.