2-Aminobenzothiazole-6-carboxylic acid hydrochloride

Base Information

• Chemical Name: 2-Aminobenzothiazole-6-carboxylic acid hydrochloride
• CAS No.: 18330-76-2
• Molecular Formula: C8H7ClN2O2S
• Molecular Weight: 230.67138
• Hs Code.: 2934200090
• DSSTox Substance ID: DTXSID60585560
• Mol file: 18330-76-2.mol

Synonyms:18330-76-2;2-Aminobenzothiazole-6-carboxylic acid hydrochloride;2-Aminobenzo[d]thiazole-6-carboxylic acid hydrochloride;2-amino-1,3-benzothiazole-6-carboxylic acid hydrochloride;MFCD01333078;2-amino-1,3-benzothiazole-6-carboxylic acid;hydrochloride;2-Aminobenzothiazole-6-carboxylic acid HCl;2-Amino-1,3-benzothiazole-6-carboxylic acid HCl;2-Amino-benzothiazole-6-carboxylic acid hydrochloride;6-Benzothiazolecarboxylic acid, 2-amino-, hydrochloride (1:1);6-Benzothiazolecarboxylic acid, 2-amino-, monohydrochloride;2-Aminobenzothiazole-6-carboxylicAcidHydrochloride;93-85-6 (non-salt);SCHEMBL4680538;DTXSID60585560;UTKWPETXSJOITB-UHFFFAOYSA-N;AMY41388;AKOS001476523;CS-10362;SY018451;EN300-00921;Z56766111;F1905-6972;2-Amino-1,3-benzothiazole-6-carboxylic acid--hydrogen chloride (1/1)

Chemical Property of 2-Aminobenzothiazole-6-carboxylic acid hydrochloride

Chemical Property:

• PSA: 105.18000
• LogP: 2.30880
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 229.9916763
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

2-Aminobenzothiazole-6-carboxylicAcidHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C(=O)O)SC(=N2)N.Cl

Technology Process of 2-Aminobenzothiazole-6-carboxylic acid hydrochloride

There total 8 articles about 2-Aminobenzothiazole-6-carboxylic acid 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: 64.0%

sodium thiocyanide (540-72-7) + 4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 2-aminobenzothiazole-6-carboxylic acid hydrochloride (18330-76-2)

Guidance literature:

sodium thiocyanide; 4-amino-benzoic acid; With bromine; In methanol; at -5 ℃;

With hydrogenchloride; In methanol; water;

DOI:10.1021/jm8013376

Reference yield:

potassium thioacyanate (333-20-0) + 4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 2-aminobenzothiazole-6-carboxylic acid hydrochloride (18330-76-2)

Guidance literature:

potassium thioacyanate; 4-amino-benzoic acid; In acetic acid; for 0.25h;

With bromine; In acetic acid; at 25 ℃;

With hydrogenchloride; In water;

Reference yield:

argon + 4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 2-aminobenzothiazole-6-carboxylic acid hydrochloride (18330-76-2)

Guidance literature:

With bromine; In methanol;

upstream raw materials:

ethyl 2-aminobenzothiazole-6-carboxylate

4-amino-3-thiocyanatobenzoic acid

4-amino-benzoic acid

p-aminoethylbenzoate