Boc-l-valine thioamide

Base Information

Chemical Name:Boc-l-valine thioamide
CAS No.:96929-02-1
Molecular Formula:C10H20N2O2S
Molecular Weight:232.34300
Hs Code.:2930909090
DSSTox Substance ID:DTXSID601150597
Nikkaji Number:J1.856.352E
Mol file:96929-02-1.mol

Synonyms:96929-02-1;tert-Butyl (S)-(1-amino-3-methyl-1-thioxobutan-2-yl)carbamate;tert-butyl N-[(2S)-1-amino-3-methyl-1-sulfanylidenebutan-2-yl]carbamate;boc-l-valine thioamide;Boc-valinethioamide;starbld0016444;WOEWANXEYUKZFC-ZETCQYMHSA-N;DTXSID601150597;MFCD09752926;(S)-2-(tert-Butoxycarbonylamino)-3-methylbutanethioamide;1,1-Dimethylethyl N-[(1S)-1-(aminothioxomethyl)-2-methylpropyl]carbamate;Carbamic acid, N-[(1S)-1-(aminothioxomethyl)-2-methylpropyl]-, 1,1-dimethylethyl ester

Suppliers and Price of Boc-l-valine thioamide

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
(S)-[1-(Aminothioxomethyl)-2-methylpropyl]-carbamicAcid1,1-DimethylethylEster
250mg
$ 165.00

American Custom Chemicals Corporation
BOC-L-VALINE THIOAMIDE 95.00%
5MG
$ 496.47

Total 0 raw suppliers

Chemical Property of Boc-l-valine thioamide

Chemical Property:

Melting Point:84-85 °C(ethyl ether/ligroine)
PSA：96.44000
Density:1.078±0.06 g/cm3(20 °C , 760mmHg)
LogP:2.91300
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:232.12454906
Heavy Atom Count:15
Complexity:246

Purity/Quality:: (S)-[1-(Aminothioxomethyl)-2-methylpropyl]-carbamicAcid1,1-DimethylethylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(C(=S)N)NC(=O)OC(C)(C)C
Isomeric SMILES:CC(C)[C@@H](C(=S)N)NC(=O)OC(C)(C)C
Uses (S)-[1-(aminothioxomethyl)-2-methylpropyl]-carbamic Acid 1,1-Dimethylethyl Ester is an intermediate in the synthesis of QZ59S-SSS (Q990000) which acts as a potential inhibitor of human P-glycoprotein used to improve the efficacy of cancer chemotherapy.

Technology Process of Boc-l-valine thioamide

There total 9 articles about Boc-l-valine thioamide 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%

: 35150-08-4
Boc-Val-NH₂

: 96929-02-1
(S)-(2-methyl-1-thiocarbamoylpropyl)carbamic acid tert-butyl ester

Guidance literature:: With Lawessons reagent; In tetrahydrofuran; Ambient temperature;
DOI:10.1021/jo970528v

Reference yield: 94.0%

: 13734-41-3
t-Boc-L-valine

: 96929-02-1
(S)-(2-methyl-1-thiocarbamoylpropyl)carbamic acid tert-butyl ester

Guidance literature:: With Lawessons reagent; In tetrahydrofuran; at 0 - 20 ℃; for 5h; Inert atmosphere;
DOI:10.1021/acs.joc.8b02684

Reference yield:

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

: 96929-02-1
(S)-(2-methyl-1-thiocarbamoylpropyl)carbamic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: NaOH

2: tetrahydrofuran

3: aq. NH₃ / tetrahydrofuran

4: Lawesson's reagent / toluene

With Lawessons reagent; ammonium hydroxide; sodium hydroxide; In tetrahydrofuran; toluene;
DOI:10.1016/S0960-894X(03)00495-5