5,7-Dimethyl-1,3-benzothiazol-2-amine

Base Information

• Chemical Name: 5,7-Dimethyl-1,3-benzothiazol-2-amine
• CAS No.: 73351-87-8
• Molecular Formula: C9H10 N2 S
• Molecular Weight: 178.258
• Hs Code.: 2934208090
• DSSTox Substance ID: DTXSID10365975
• Nikkaji Number: J3.101.297J
• Wikidata: Q72469445
• ChEMBL ID: CHEMBL1479891
• Mol file: 73351-87-8.mol

Synonyms:5,7-dimethyl-1,3-benzothiazol-2-amine;73351-87-8;5,7-dimethylbenzo[d]thiazol-2-amine;5,7-dimethyl-2-Benzothiazolamine;2-Amino-5,7-dimethylbenzothiazole;MLS000678445;CHEMBL1479891;SCHEMBL10991202;DTXSID10365975;AKPWHGBCJISNKZ-UHFFFAOYSA-N;HMS2725N16;5,7-Dimethylbenzothiazole-2-amine;2-Benzothiazolamine, 5,7-dimethyl-;STL282266;AKOS005148486;BS-29342;SMR000323914;5,7-dimethyl-1,3-benzothiazol-2-ylamine;5,7-DIMETHYLBENZOTHIAZOL-2-YLAMINE;FT-0753392;EN300-237655;F1911-0028

Chemical Property of 5,7-Dimethyl-1,3-benzothiazol-2-amine

Chemical Property:

• PSA: 67.15000
• LogP: 3.07650
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 178.05646950
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

98%min ^*data from raw suppliers

5,7-Dimethyl-1,3-benzothiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C2C(=C1)N=C(S2)N)C

Technology Process of 5,7-Dimethyl-1,3-benzothiazol-2-amine

There total 4 articles about 5,7-Dimethyl-1,3-benzothiazol-2-amine 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:

1-(3,5-dimethylphenyl)thiourea (97480-60-9) → 5,7-dimethylbenzo[d]thiazol-2-amine (73351-87-8)

Guidance literature:

With bromine; In chloroform; at 5 ℃; for 6h;

DOI:10.5012/jkcs.2014.58.1.33

Reference yield:

3,5-dimethylaminoaniline (108-69-0) → 5,7-dimethylbenzo[d]thiazol-2-amine (73351-87-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrogenchloride / water / 0.5 h / Reflux

1.2: 4 h / 20 °C / Reflux

2.1: bromine / chloroform / 6 h / 5 °C

With hydrogenchloride; bromine; In chloroform; water;

DOI:10.5012/jkcs.2014.58.1.33

Reference yield:

3,5-dimethylphenylamine hydrochloride (85518-76-9) → 5,7-dimethylbenzo[d]thiazol-2-amine (73351-87-8)

Guidance literature:

Multi-step reaction with 2 steps

1: water

2: bromine / chloroform

With bromine; In chloroform; water;

DOI:10.2174/1570178615666180326161710

upstream raw materials:

3,5-dimethylaminoaniline

1-(3,5-dimethylphenyl)thiourea

3,5-dimethylphenylamine hydrochloride

Downstream raw materials:

2-amino-4,6-dimethylbenzenethiol

C₁₇H₁₃N₃OS

C₁₇H₁₃F₃N₂OS

C₁₇H₁₆N₂OS

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