1,3-Benzothiazol-2-ylmethylamine hydrochloride

Base Information

• Chemical Name: 1,3-Benzothiazol-2-ylmethylamine hydrochloride
• CAS No.: 29198-41-2
• Molecular Formula: C8H8N2S^.HCl
• Molecular Weight: 200.692
• Hs Code.: 2934200090
• European Community (EC) Number: 638-961-9,802-070-5
• DSSTox Substance ID: DTXSID70379932
• Mol file: 29198-41-2.mol

Synonyms:29198-41-2;1,3-benzothiazol-2-ylmethylamine hydrochloride;Benzo[d]thiazol-2-ylmethanamine hydrochloride;1,3-benzothiazol-2-ylmethanamine;hydrochloride;2-Benzothiazolemethanamine, hydrochloride (1:1);(1,3-benzothiazol-2-ylmethyl)amine hydrochloride;1-(1,3-benzothiazol-2-yl)methanamine hydrochloride;SCHEMBL289191;DTXSID70379932;WCZDQDCFSDCIIC-UHFFFAOYSA-N;MFCD03783535;1,3-Benzothiazol-2-ylmethylamine HCl;AKOS015848739;AB15872;AS-67393;1,3-BENZOTHIAZOL-2-YLMETHYLAMINEHCL;Benzo[d]thiazol-2-ylmethanaminehydrochloride;CS-0270412;FT-0606555;2-(Aminomethyl)-1,3-benzothiazole hydrochloride;A819805;J-503868;Z166630948;(1,3-Benzothiazol-2-ylmethyl)amine hydrochloride, AldrichCPR

Chemical Property of 1,3-Benzothiazol-2-ylmethylamine hydrochloride

Chemical Property:

• Vapor Pressure: 0.00344mmHg at 25°C
• Melting Point: 260 °C
• Boiling Point: 282°Cat760mmHg
• Flash Point: 124.4°C
• PSA: 67.15000
• LogP: 3.25730
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 200.0174972
• Heavy Atom Count: 12
• Complexity: 140

Purity/Quality:

98%min ^*data from raw suppliers

1,3-benzothiazol-2-ylmethylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xi,T
• Statements: 25-36-37-38
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)CN.Cl

Technology Process of 1,3-Benzothiazol-2-ylmethylamine hydrochloride

There total 2 articles about 1,3-Benzothiazol-2-ylmethylamine hydrochloride 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: 74.0%

2-(azidomethyl)benzo[d]thiazole → 1,3-benzothiazol-2-ylmethylamine hydrochloride (29198-41-2)

Guidance literature:

2-(azidomethyl)benzo[d]thiazole; With 1,3-diphenyl-disiloxane; triphenylphosphine; at 20 ℃; for 24h;

With water;

With hydrogenchloride; In 1,4-dioxane; chemoselective reaction;

DOI:10.1021/acs.joc.9b00831

Reference yield: 52.3%

glycine ethyl ester hydrochloride (623-33-6) + 2-amino-benzenethiol (137-07-5) → 1,3-benzothiazol-2-ylmethylamine hydrochloride (29198-41-2)

Guidance literature:

With polyphosphoric acid; at 220 ℃; for 4h;

DOI:10.1016/j.jinorgbio.2013.03.003

Reference yield: 99.0%

4-phenoxyphenylsulfonyl chloride (1623-92-3) + 1,3-benzothiazol-2-ylmethylamine hydrochloride (29198-41-2) → N-(benzo[d]thiazol-2-ylmethyl)-4-phenoxybenzenesulfonamide

Guidance literature:

With triethylamine; In acetonitrile; at 20 ℃; for 24h;

DOI:10.1016/j.jinorgbio.2013.03.003

upstream raw materials:

glycine ethyl ester hydrochloride

2-amino-benzenethiol

Downstream raw materials:

N-(1,3-benzothiazol-2-ylmethyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine

N-(1,3-Benzothiazol-2-ylmethyl)-5-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine

Refernces

• 1、 Marques, Sérgio M.,Abate, Claudia C.,Chaves, Sílvia,Marques, Fernanda,Santos, Isabel,Nuti, Elisa,Rossello, Armando,Santos, M. Amélia. "New bifunctional metalloproteinase inhibitors: An integrated approach towards biological improvements and cancer therapy". . p. 188 - 202. Retrieved 2013/10/01.