2-Benzothiazol-2-yl-5-methyl-2H-pyrazol-3-ylamine

Base Information

• Chemical Name: 2-Benzothiazol-2-yl-5-methyl-2H-pyrazol-3-ylamine
• CAS No.: 99845-70-2
• Molecular Formula: C₁₁H₁₀N₄S
• Molecular Weight: 230.293
• Hs Code.: 2934200090
• European Community (EC) Number: 857-411-0
• DSSTox Substance ID: DTXSID70368023
• Wikidata: Q27182571
• ChEMBL ID: CHEMBL1341052
• Mol file: 99845-70-2.mol

Synonyms:2-Benzothiazol-2-yl-5-methyl-2H-pyrazol-3-ylamine;99845-70-2;2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-amine;1-(1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-amine;1-(Benzo[d]thiazol-2-yl)-3-methyl-1H-pyrazol-5-amine;MLS000718611;IFLab1_000920;CHEMBL1341052;DTXSID70368023;CHEBI:104903;HMS1414J18;HMS2671M04;MFCD01910932;STL255648;AKOS000122234;SMR000290879;EN300-02208;A916247;SR-01000005425;SR-01000005425-1;2-(1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolamine;Q27182571;Z55148826;F0307-0143

Chemical Property of 2-Benzothiazol-2-yl-5-methyl-2H-pyrazol-3-ylamine

Chemical Property:

• Vapor Pressure: 7.5E-09mmHg at 25°C
• Boiling Point: 465.7°Cat760mmHg
• Flash Point: 235.5°C
• PSA: 84.97000
• Density: 1.48g/cm³
• LogP: 2.95380
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 230.06261751
• Heavy Atom Count: 16
• Complexity: 262

Purity/Quality:

97% ^*data from raw suppliers

1-(1,3-Benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=C1)N)C2=NC3=CC=CC=C3S2

Technology Process of 2-Benzothiazol-2-yl-5-methyl-2H-pyrazol-3-ylamine

There total 3 articles about 2-Benzothiazol-2-yl-5-methyl-2H-pyrazol-3-ylamine 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:

3-Aminocrotononitrile (1118-61-2) + 1,3-benzothiazol-2-ylhydrazine (615-21-4) → TM-N1091 (99845-70-2)

Guidance literature:

With hydrogenchloride; In water; for 16h; Reflux;

DOI:10.1002/ejoc.202000265

Reference yield:

buta-2,3-dienenitrile (1001-56-5) + 1,3-benzothiazol-2-ylhydrazine (615-21-4) → TM-N1091 (99845-70-2)

Guidance literature:

With methanol;

Reference yield:

→ TM-N1091 (99845-70-2)

Guidance literature:

2-Hydrazino-benzthiazol, Dioxan, 1-Cyan-propadien-(1,2), 70grad;

upstream raw materials:

buta-2,3-dienenitrile

1,3-benzothiazol-2-ylhydrazine

3-Aminocrotononitrile