(3S,4aS,8aS)-

Base Information

Chemical Name:(3S,4aS,8aS)-
CAS No.:142580-65-2
Molecular Formula:C29H47 N3 O4
Molecular Weight:501.71
Hs Code.:
Mol file:142580-65-2.mol

Synonyms:Carbamicacid,[(1S,2R)-3-[(3S,4aS,8aS)-3-[[(1,1-dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-,1,1-dimethylethyl ester (9CI); Carbamic acid,[3-[3-[[(1,1-dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-,1,1-dimethylethyl ester, [3S-[2(1R*,2S*),3a,4ab,8ab]]-

Suppliers and Price of (3S,4aS,8aS)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
(3S,4aS,8aS)-2-[(2R,3S)-3-tert-Butyloxycarbonylamino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide
100mg
$ 130.00

Medical Isotopes, Inc.
(3S,4aS,8aS)-2-[(2R,3S)-3-tert-Butyloxycarbonylamino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide
100 mg
$ 620.00

Total 2 raw suppliers

Chemical Property of (3S,4aS,8aS)-

Chemical Property:

Vapor Pressure:1.88E-19mmHg at 25°C
Melting Point:>71oC (dec.)
Boiling Point:680.5°Cat760mmHg
PKA:12.11±0.46(Predicted)
Flash Point:365.4°C
PSA：97.88000
Density:1.082g/cm³
LogP:5.26130
Storage Temp.:-20°C Freezer
Solubility.:Chloroform (Slightly), Methanol (Slightly)

Purity/Quality:

99% ^*data from raw suppliers

(3S,4aS,8aS)-2-[(2R,3S)-3-tert-Butyloxycarbonylamino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Uses Intermediate in the preparation of HIV-1 protease inhibitors.

Technology Process of (3S,4aS,8aS)-

There total 24 articles about (3S,4aS,8aS)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 84.0%

: 98760-08-8
(2R,3S)-3-[N-(tert-butyloxycarbonyl)amino]-1,2-epoxy-4-phenylbutane

: 128019-40-9,149510-73-6,136465-81-1,168899-60-3
(3S,4aS,8aS)-N-tert-butyl-decahydroisoquinoline-3-carboxamide

: 142580-65-2
[(1S,2R)-1-Benzyl-3-((3S,4aS,8aS)-3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-propyl]-carbamic acid tert-butyl ester

Guidance literature:: In isopropyl alcohol; 1.) 70 deg C, 9 h, 2.) r.t., 16 h;
DOI:10.1021/jo00092a026

Reference yield: 80.0%

: 98760-08-8,98818-34-9,98818-35-0,103127-56-6,98737-29-2
(1-oxiranyl-2-phenylethyl)carbamic acid tert-butyl ester

: 128019-40-9,149510-73-6,136465-81-1,168899-60-3
(3S,4aS,8aS)-N-tert-butyl-decahydroisoquinoline-3-carboxamide

: 142580-65-2
[(1S,2R)-1-Benzyl-3-((3S,4aS,8aS)-3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-propyl]-carbamic acid tert-butyl ester

Guidance literature:: With triethylamine; In methanol;
DOI:10.1021/ja982893p

Reference yield:

: 24424-99-5
di-tert-butyl dicarbonate

: 142580-65-2
[(1S,2R)-1-Benzyl-3-((3S,4aS,8aS)-3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-propyl]-carbamic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: CH₂Cl₂ / 2 h / 23 °C

2: 96 percent / H₂ / Pd(OH)2 / ethyl acetate / 12 h

3: 1.) 1-(chlorocarbonyl)-1-methylene acetate, 2.) NaOMe / 1.) CHCl₃, 23 deg C, 3 h, 2.) THF, 23 deg C, 4 h

4: 75 percent / propan-2-ol / 2 h / Heating

With 1-(chlorocarbonyl)-1-methylene acetate; hydrogen; sodium methylate; palladium dihydroxide; In dichloromethane; ethyl acetate; isopropyl alcohol;
DOI:10.1021/jo9706943