T-Butyl (2S)-2-[(benzyloxycarbonylamino)]-4-oxo-butyrate

Base Information

Chemical Name:T-Butyl (2S)-2-[(benzyloxycarbonylamino)]-4-oxo-butyrate
CAS No.:78553-60-3
Molecular Formula:C16H21NO5
Molecular Weight:307.346
Hs Code.:
DSSTox Substance ID:DTXSID40442243
Wikidata:Q82259418
Mol file:78553-60-3.mol

Synonyms:78553-60-3;T-BUTYL (2S)-2-[(BENZYLOXYCARBONYLAMINO)]-4-OXO-BUTYRATE;(S)-tert-Butyl 2-(((benzyloxy)carbonyl)amino)-4-oxobutanoate;tert-butyl (2S)-4-oxo-2-(phenylmethoxycarbonylamino)butanoate;starbld0017191;SCHEMBL5060739;DTXSID40442243;AKOS027323564;AG-H-15125;CS-0380492;F74377;(S)-tert-butyl 2-(benzyloxycarbonylamino)-4-oxobutanoate;1,1-dimethylethyl (S)-4-oxo-2-[[(phenylmethoxy)carbonyl]amino]butanoate

Suppliers and Price of T-Butyl (2S)-2-[(benzyloxycarbonylamino)]-4-oxo-butyrate

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
t-Butyl(2S)-2-[(Benzyloxycarbonylamino)]-4-oxo-butyrate
500mg
$ 795.00

Medical Isotopes, Inc.
t-Butyl(2S)-2-[(Benzyloxycarbonylamino)]-4-oxo-butyrate
2.5 mg
$ 875.00

Medical Isotopes, Inc.
t-Butyl(2S)-2-[(Benzyloxycarbonylamino)]-4-oxo-butyrate
12.5 mg
$ 11000.00

Biosynth Carbosynth
t-Butyl (2S)-2-[(benzyloxycarbonylamino)]-4-oxo-butyrate
2 mg
$ 170.00

Biosynth Carbosynth
t-Butyl (2S)-2-[(benzyloxycarbonylamino)]-4-oxo-butyrate
1 mg
$ 95.00

Biosynth Carbosynth
t-Butyl (2S)-2-[(benzyloxycarbonylamino)]-4-oxo-butyrate
25 mg
$ 1350.00

Biosynth Carbosynth
t-Butyl (2S)-2-[(benzyloxycarbonylamino)]-4-oxo-butyrate
10 mg
$ 620.00

Biosynth Carbosynth
t-Butyl (2S)-2-[(benzyloxycarbonylamino)]-4-oxo-butyrate
5 mg
$ 325.00

American Custom Chemicals Corporation
TERT-BUTYL (2S)-2-((BENZYLOXYCARBONYLAMINO))-4-OXO-BUTYRATE 95.00%
2.5MG
$ 279.00

AK Scientific
T-Butyl(2S)-2-[(benzyloxycarbonylamino)]-4-oxo-butyrate
10mg
$ 887.00

Total 5 raw suppliers

Chemical Property of T-Butyl (2S)-2-[(benzyloxycarbonylamino)]-4-oxo-butyrate

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:460.421°C at 760 mmHg
Flash Point:232.255°C
PSA：85.19000
Density:1.148g/cm³
LogP:2.41650
Solubility.:Chloroform, Dichloromethane
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:307.14197277
Heavy Atom Count:22
Complexity:383

Purity/Quality:

97% ^*data from raw suppliers

t-Butyl(2S)-2-[(Benzyloxycarbonylamino)]-4-oxo-butyrate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)C(CC=O)NC(=O)OCC1=CC=CC=C1
Isomeric SMILES:CC(C)(C)OC(=O)[C@H](CC=O)NC(=O)OCC1=CC=CC=C1

Technology Process of T-Butyl (2S)-2-[(benzyloxycarbonylamino)]-4-oxo-butyrate

There total 11 articles about T-Butyl (2S)-2-[(benzyloxycarbonylamino)]-4-oxo-butyrate 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: 100.0%

: α-tert-butyl β-S-ethyl (S)-N-(benzyloxycarbonyl)thioaspartate

: 78553-60-3
1,1-dimethylethyl (S)-4-oxo-2-[[(phenylmethoxy)-carbonyl]amino]butanoate

Guidance literature:: With triethylsilane; palladium 10% on activated carbon; In acetone; at 0 - 20 ℃; for 0.0833333h;
DOI:10.1016/j.bmcl.2012.03.072

Reference yield: 95.0%

: 78266-81-6
tert-butyl N-[(benzyloxy)carbonyl]-L-homoserinate

: 78553-60-3
1,1-dimethylethyl (S)-4-oxo-2-[[(phenylmethoxy)-carbonyl]amino]butanoate

Guidance literature:: With sodium hydrogencarbonate; Dess-Martin periodane; In dichloromethane; at 20 ℃; for 1.5h;
DOI:10.1002/ejoc.202000278

Reference yield:

: 47307-26-6,149967-07-7
(S)-2-benzyloxycarbonylamino-succinic acid 1-tert-butyl ester

: 78553-60-3
1,1-dimethylethyl (S)-4-oxo-2-[[(phenylmethoxy)-carbonyl]amino]butanoate

Guidance literature:: Multi-step reaction with 3 steps

1: Et₃N / tetrahydrofuran / 0.5 h

2: 5.18 g / NaBH₄ / tetrahydrofuran; H₂O / Ambient temperature

3: PCC/silica gel / CH₂Cl₂ / 2.5 h

With sodium tetrahydroborate; silica gel; triethylamine; pyridinium chlorochromate; In tetrahydrofuran; dichloromethane; water;
DOI:10.1021/jo962257e