Tert-butyl 3-isothiocyanatopropionate

Base Information

Chemical Name:Tert-butyl 3-isothiocyanatopropionate
CAS No.:172422-02-5
Molecular Formula:C₈H₁₃NO₂S
Molecular Weight:187.263
Hs Code.:2930909090
European Community (EC) Number:674-051-8
DSSTox Substance ID:DTXSID10373818
Mol file:172422-02-5.mol

Synonyms:172422-02-5;TERT-BUTYL 3-ISOTHIOCYANATOPROPIONATE;tert-butyl 3-isothiocyanatopropanoate;tert-butyl-3-isothiocyanatopropionate;Propanoicacid, 3-isothiocyanato-, 1,1-dimethylethyl ester (9CI);SCHEMBL8455009;DTXSID10373818;HEWUEFIMRQQSSL-UHFFFAOYSA-N;MFCD01869157;AKOS006345712;FS-5448;FT-0682066;EN300-7816789;A811414;Propanoicacid,3-isothiocyanato-,1,1-dimethylethyl ester(9ci)

Suppliers and Price of Tert-butyl 3-isothiocyanatopropionate

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
tert-Butyl3-isothiocyanatopropionate
5mg
$ 45.00

SynQuest Laboratories
tert-Butyl 3-isothiocyanatopropionate 99%
1 g
$ 355.00

SynQuest Laboratories
tert-Butyl 3-isothiocyanatopropionate 99%
250 mg
$ 95.00

Oakwood
tert-Butyl3-isothiocyanatopropionate 99%
250mg
$ 75.00

Oakwood
tert-Butyl3-isothiocyanatopropionate 99%
1g
$ 250.00

Matrix Scientific
tert-Butyl 3-isothiocyanatopropionate 99%
1g
$ 177.00

Matrix Scientific
tert-Butyl 3-isothiocyanatopropionate 99%
500mg
$ 115.00

American Custom Chemicals Corporation
TERT-BUTYL 3-ISOTHIOCYANATOPROPIONATE 95.00%
500MG
$ 690.69

AK Scientific
tert-Butyl3-isothiocyanatopropionate
1g
$ 288.00

AHH
tert-Butyl3-isothiocyanatopropionate 99%
5g
$ 360.00

Total 11 raw suppliers

Chemical Property of Tert-butyl 3-isothiocyanatopropionate

Chemical Property:

Vapor Pressure:0.0103mmHg at 25°C
Boiling Point:88°C 1mm
Flash Point:113.1°C
PSA：70.75000
Density:1,05 g/cm3
LogP:1.82100
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:187.06669983
Heavy Atom Count:12
Complexity:202

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl3-isothiocyanatopropionate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 20/21/22-36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)CCN=C=S

Technology Process of Tert-butyl 3-isothiocyanatopropionate

There total 2 articles about Tert-butyl 3-isothiocyanatopropionate 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: 78.0%

: 75-15-0,12122-00-8
carbon disulfide

: 15231-41-1
tert-butyl 3-aminopropanoate

: 172422-02-5
tert-butyl 3-isothiocyanatopropanoate

Guidance literature:: With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; In N,N-dimethyl-formamide; for 0.5h; Ambient temperature;
DOI:10.1039/c39950001995