N-Boc-thiourea

Base Information

Chemical Name:N-Boc-thiourea
CAS No.:268551-65-1
Molecular Formula:C6H12 N2 O2 S
Molecular Weight:176.239
Hs Code.:2930909090
European Community (EC) Number:627-689-6
DSSTox Substance ID:DTXSID50399259
Nikkaji Number:J1.754.219B
Wikidata:Q82201682
Mol file:268551-65-1.mol

Synonyms:N-Boc-thiourea;268551-65-1;Tert-butyl N-carbamothioylcarbamate;tert-Butyl carbamothioylcarbamate;N-Boc-thiourea, 97%;N-tert-butoxycarbonylthiourea;N-Boc thiourea;mono-boc-thiourea;N-Boc thiourea 97;N-tert-butoxycarbonyl-thiourea;N-Tert.butoxycarbonyl thiourea;tert-Butylcarbamothioylcarbamate;SCHEMBL1616863;1-(tert-Butoxycarbonyl)thiourea;DTXSID50399259;JKXQTODLIZBUDE-UHFFFAOYSA-N;MFCD04039987;AKOS025310544;BS-23717;CS-0199385;FT-0685263;W16172;A911139;J-016574

Suppliers and Price of N-Boc-thiourea

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
N-BOC-Thiourea
500mg
$ 130.00

Synthonix
N-BOC-thiourea 90%
5g
$ 200.00

Synthonix
N-BOC-thiourea 90%
1g
$ 50.00

Sigma-Aldrich
N-Boc-thiourea 97%
5g
$ 329.00

Sigma-Aldrich
N-Boc-thiourea 97%
1g
$ 113.00

Matrix Scientific
N-Boc-thiourea 95%
1g
$ 114.00

Matrix Scientific
N-Boc-thiourea 95%
5g
$ 393.00

Crysdot
tert-Butylcarbamothioylcarbamate 95+%
25g
$ 565.00

American Custom Chemicals Corporation
N-BOC-THIOUREA 95.00%
5G
$ 1182.72

American Custom Chemicals Corporation
N-BOC-THIOUREA 95.00%
1G
$ 179.55

Total 18 raw suppliers

Chemical Property of N-Boc-thiourea

Chemical Property:

Melting Point:142 °C (dec.)(lit.)
Refractive Index:1.531
PKA:7.67±0.70(Predicted)
PSA：96.44000
Density:1.186g/cm³
LogP:1.84590
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:176.06194880
Heavy Atom Count:11
Complexity:174

Purity/Quality:

97% ^*data from raw suppliers

N-BOC-Thiourea ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 42/43
Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC(=S)N
Uses N-Boc-thiourea is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Technology Process of N-Boc-thiourea

There total 3 articles about N-Boc-thiourea 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: 90.0%

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

: 17356-08-0
thiourea

: 145013-05-4
tert-butyl N-({[(tert-butoxy)carbonyl]amino}methanethioyl)carbamate

: 268551-65-1
tert-butyl carbamothioylcarbamate

Guidance literature:: With sodium hydride; In tetrahydrofuran; at 20 ℃; for 1h;
DOI:10.1081/SCC-120004257

Reference yield: 36.0%

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

: 17356-08-0
thiourea

: 268551-65-1
tert-butyl carbamothioylcarbamate

Guidance literature:: With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃;

Reference yield:

: 145013-05-4
tert-butyl N-({[(tert-butoxy)carbonyl]amino}methanethioyl)carbamate

: 268551-65-1
tert-butyl carbamothioylcarbamate

Guidance literature:: tert-butyl N-({[(tert-butoxy)carbonyl]amino}methanethioyl)carbamate; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 ℃; for 1.33333h; Inert atmosphere;

With trifluoroacetic anhydride; In tetrahydrofuran; mineral oil; for 0.5h;
DOI:10.1016/j.ejmech.2014.05.025