(2S,3S)-3-Boc-amino-1,2-epoxy-4-phenyl-d5-butane

Base Information

Chemical Name:(2S,3S)-3-Boc-amino-1,2-epoxy-4-phenyl-d5-butane
CAS No.:856765-76-9
Molecular Formula:C15H16 D5 N O3
Molecular Weight:263.34
Hs Code.:
DSSTox Substance ID:DTXSID70458438
Wikidata:Q82281708
Mol file:856765-76-9.mol

Synonyms:856765-76-9;(2S,3S)-3-Boc-amino-1,2-epoxy-4-phenyl-d5-butane;Tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]carbamate;DTXSID70458438;tert-Butyl [(1S)-1-[(2S)-oxiran-2-yl]-2-(~2~H_5_)phenylethyl]carbamate

Suppliers and Price of (2S,3S)-3-Boc-amino-1,2-epoxy-4-phenyl-d5-butane

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

Medical Isotopes, Inc.
(2S,3S)-3-Boc-amino-1,2-epoxy-4-phenyl-d5-butane
2.5 mg
$ 900.00

American Custom Chemicals Corporation
(2S,3S)-3-BOC-AMINO-1,2-EPOXY-4-PHENYL-D5-BUTANE 95.00%
25MG
$ 1963.50

American Custom Chemicals Corporation
(2S,3S)-3-BOC-AMINO-1,2-EPOXY-4-PHENYL-D5-BUTANE 95.00%
2.5MG
$ 715.00

Total 1 raw suppliers

Chemical Property of (2S,3S)-3-Boc-amino-1,2-epoxy-4-phenyl-d5-butane

Chemical Property:

Vapor Pressure:1.43E-06mmHg at 25°C
Refractive Index:1.532
Boiling Point:398.8°C at 760 mmHg
Flash Point:195°C
PSA：50.86000
Density:1.139g/cm³
LogP:2.91210
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:268.18352726
Heavy Atom Count:19
Complexity:305

Purity/Quality:: (2S,3S)-3-Boc-amino-1,2-epoxy-4-phenyl-d5-butane ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C2CO2
Isomeric SMILES:[2H]C1=C(C(=C(C(=C1[2H])[2H])C[C@@H]([C@H]2CO2)NC(=O)OC(C)(C)C)[2H])[2H]
Uses Atazanavir intermediate. Enantiomer S

Technology Process of (2S,3S)-3-Boc-amino-1,2-epoxy-4-phenyl-d5-butane

There total 4 articles about (2S,3S)-3-Boc-amino-1,2-epoxy-4-phenyl-d5-butane 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: 73.0%

: 856765-75-8
S-1-[N-(tert-butyloxycarbonyl)amino]-1-[2H₅]benzyl-propan-2S,3-diol

: 856765-76-9
(1S,2S)-(oxiranyl-2-[2H₅]-phenyl-ethyl)-carbamic acid tert-butyl ester

Guidance literature:: S-1-[N-(tert-butyloxycarbonyl)amino]-1-[2H₅]benzyl-propan-2S,3-diol; With acetoxyisobutyryl bromide; In chloroform; at 20 ℃; for 3h;

With sodium methylate; In tetrahydrofuran; at 20 ℃; for 4h;
DOI:10.1002/jlcr.870

Reference yield:

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

: 856765-76-9
(1S,2S)-(oxiranyl-2-[2H₅]-phenyl-ethyl)-carbamic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 3 steps

1.1: KOH / ethanol; H₂O / 2 h / 70 °C

1.2: 94 percent / ethanol; H₂O; CH₂Cl₂ / 2 h / 20 °C / pH 7

2.1: 100 percent / hydrogen / Pd/C / ethyl acetate / 18 h

3.1: 1-bromocarbonyl-1-methylethyl acetate / CHCl₃ / 3 h / 20 °C

3.2: 73 percent / NaOMe / tetrahydrofuran / 4 h / 20 °C

With potassium hydroxide; acetoxyisobutyryl bromide; hydrogen; palladium on activated charcoal; In ethanol; chloroform; water; ethyl acetate;
DOI:10.1002/jlcr.870

Reference yield:

: 856765-73-6
S-4-[2H₅]benzyl-5S-(benzyloxymethyl)-oxazolidin-2-one

: 856765-76-9
(1S,2S)-(oxiranyl-2-[2H₅]-phenyl-ethyl)-carbamic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 3 steps

1.1: KOH / ethanol; H₂O / 2 h / 70 °C

1.2: 94 percent / ethanol; H₂O; CH₂Cl₂ / 2 h / 20 °C / pH 7

2.1: 100 percent / hydrogen / Pd/C / ethyl acetate / 18 h

3.1: 1-bromocarbonyl-1-methylethyl acetate / CHCl₃ / 3 h / 20 °C

3.2: 73 percent / NaOMe / tetrahydrofuran / 4 h / 20 °C

With potassium hydroxide; acetoxyisobutyryl bromide; hydrogen; palladium on activated charcoal; In ethanol; chloroform; water; ethyl acetate;
DOI:10.1002/jlcr.870