4-Methoxy-7-methyl-1,3-benzothiazol-2-amine

Base Information

• Chemical Name: 4-Methoxy-7-methyl-1,3-benzothiazol-2-amine
• CAS No.: 88686-30-0
• Molecular Formula: C₉H₁₀N₂OS
• Molecular Weight: 194.257
• Hs Code.: 2934200090
• DSSTox Substance ID: DTXSID70365976
• Nikkaji Number: J2.682.564D
• Wikidata: Q72490384
• Mol file: 88686-30-0.mol

Synonyms:88686-30-0;4-methoxy-7-methyl-1,3-benzothiazol-2-amine;4-METHOXY-7-METHYLBENZO[D]THIAZOL-2-AMINE;4-Methoxy-7-methyl-benzothiazol-2-ylamine;4-Methoxy-7-methylbenzothiazol-2-ylamine;SCHEMBL5206462;DTXSID70365976;(methoxy-methyl-benzothiazolyl)-amine;MFCD04448826;AKOS005073662;SS-2985;2-benzothiazolamine,4-methoxy-7-methyl-;4-Methoxy-7-methylbenzothiazole-2-amine;AM20041331;FT-0681264;EN300-237662;4-methoxy-7-methyl-1,3-benzothiazol-2-ylamine;J-515655;F1911-0029

Chemical Property of 4-Methoxy-7-methyl-1,3-benzothiazol-2-amine

Chemical Property:

• PSA: 76.38000
• LogP: 2.77670
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 194.05138412
• Heavy Atom Count: 13
• Complexity: 191

Purity/Quality:

98% ^*data from raw suppliers

4-methoxy-7-methyl-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=C2C(=C(C=C1)OC)N=C(S2)N

Technology Process of 4-Methoxy-7-methyl-1,3-benzothiazol-2-amine

There total 2 articles about 4-Methoxy-7-methyl-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: 93.0%

1-(2-Methoxy-5-methylphenyl)thiourea (88686-29-7) → 4-methoxy-7-methylbenzo[d]thiazol-2-amine (88686-30-0)

Guidance literature:

With bromine; In chloroform; 1. 0.5 h room temperature, 2. 20 min. reflux;

DOI:10.1021/jo00180a009

Reference yield:

Cresidine (120-71-8) → 4-methoxy-7-methylbenzo[d]thiazol-2-amine (88686-30-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 64 percent / HCl / H₂O / 12 h / Heating

2: 93 percent / Br₂ / CHCl₃ / 1. 0.5 h room temperature, 2. 20 min. reflux

With hydrogenchloride; bromine; In chloroform; water;

DOI:10.1021/jo00180a009

Reference yield: 83.0%

4-methoxy-7-methylbenzo[d]thiazol-2-amine (88686-30-0) → 4-Methoxy-7-methylbenzothiazole (88686-31-1)

Guidance literature:

With phosphonic Acid; sodium nitrite; at 5 ℃; for 48h;

DOI:10.1021/jo00180a009

upstream raw materials:

1-(2-Methoxy-5-methylphenyl)thiourea

Cresidine

Downstream raw materials:

2-amino-7-methyl-1,3-benzothiazol-4-ol

4-Methoxy-7-methylbenzothiazole

2-chloro-4-methoxy-7-methylbenzothiazole

2,4-dimethoxy-7-methylbenzothiazole