1,3-Benzothiazol-2-ylmethylamine hydrochloride

Base Information

• Chemical Name: 1,3-Benzothiazol-2-ylmethylamine hydrochloride
• CAS No.: 42182-65-0
• Molecular Formula: C8H8N2S
• Molecular Weight: 164.231
• Hs Code.: 2934200090
• European Community (EC) Number: 638-961-9,802-070-5
• DSSTox Substance ID: DTXSID70379932
• Mol file: 42182-65-0.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: 125-127℃
• Boiling Point: 282°Cat760mmHg
• PKA: 7.34±0.29(Predicted)
• Flash Point: 124.4°C
• PSA: 67.15000
• Density: 1.3g/cm³
• LogP: 2.45530
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• 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:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

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

There total 14 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: 93.0%

benzo[b]thiazole-2-carbaldehyde oxime (1129-05-1,1199-33-3,1199-34-4) → 1,3-benzothiazol-2-ylmethanamine (42182-65-0)

Guidance literature:

With ammonium formate; zinc; In methanol; for 2h; Reflux;

Reference yield: 88.0%

benzyl (benzo[d]thiazol-2-yl)methylcarbamate (1028436-75-0) → 1,3-benzothiazol-2-ylmethanamine (42182-65-0)

Guidance literature:

With hydrogen bromide; In acetic acid; at 20 ℃; for 1.5h;

DOI:10.1016/j.bmc.2007.12.032

Reference yield:

2-amino-benzenethiol (137-07-5) → 1,3-benzothiazol-2-ylmethanamine (42182-65-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 0.33 h / 60 °C

2: Sn, aq. HCl / Heating

With hydrogenchloride; tin;

upstream raw materials:

2-(bromomethyl)-1,3-benzothiazole

2-nitromethylbenzothiazole

2-Acetamidomethylbenzothiazol

Amino--essigsaeure

Downstream raw materials:

C₃₄H₃₈N₄O₅S

2-(benzothiazol-2-yl)-5-phenyloxazole

N-(1,3-benzothiazol-2-ylmethyl)-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine

4-{3-[(1,3-benzothiazol-2-ylmethyl)amino]-1,2,4-triazin-5-yl}-3-methylphenol

Refernces

• 1、 Salvadori, Severo,Fiorini, Stella,Trapella, Claudio,Porreca, Frank,Davis, Peg,Sasaki, Yusuke,Ambo, Akihiro,Marczak, Ewa D.,Lazarus, Lawrence H.,Balboni, Gianfranco. "Role of benzimidazole (Bid) in the δ-opioid agonist pseudopeptide H-Dmt-Tic-NH-CH2-Bid (UFP-502)". . p. 3032 - 3038. Retrieved 2008/09/19.
• 2、 -. "Thiazole derivative". . . Retrieved 2008/06/13.