1H-Benzotriazol-5-amine, 1-methyl-

Base Information

• Chemical Name: 1H-Benzotriazol-5-amine, 1-methyl-
• CAS No.: 27799-83-3
• Molecular Formula: C7H8 N4
• Molecular Weight: 148.167
• Hs Code.: 2933990090
• European Community (EC) Number: 823-705-2
• NSC Number: 16401
• DSSTox Substance ID: DTXSID00280325
• Nikkaji Number: J103.265H
• Wikidata: Q82013563
• Mol file: 27799-83-3.mol

Synonyms:27799-83-3;1-Methyl-1H-1,2,3-benzotriazol-5-amine;1H-Benzotriazol-5-amine, 1-methyl-;1-methylbenzotriazol-5-amine;1-Methyl-1H-benzo[d][1,2,3]triazol-5-amine;1-Methyl-1H-benzotriazol-5-amine;1H-Benzotriazole, 5-amino-1-methyl-;5-Amino-1-methyl-1H-benzotriazole;NSC16401;5-amino-1-methylbenzotriazole;SCHEMBL210242;DTXSID00280325;CBA79983;MFCD18651767;NSC 16401;NSC-16401;STL583861;AKOS006316425;BF-0707;FT-0682915;1-Methyl-1H-1,2,3-benzotriazol-5-amine #;D92976;EN300-254252;A876862;J-504852;1-Methyl-1H-1,2,3-benzotriazol-5-amine, AldrichCPR;Z1198369422

Chemical Property of 1H-Benzotriazol-5-amine, 1-methyl-

Chemical Property:

• Vapor Pressure: 1.27E-05mmHg at 25°C
• Boiling Point: 368.5°Cat760mmHg
• PKA: 3.01±0.50(Predicted)
• Flash Point: 176.7°C
• PSA: 56.73000
• Density: 1.42g/cm³
• LogP: 1.13170
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 148.074896272
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

1-methyl-1H-1,2,3-benzotriazol-5-amine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C=C(C=C2)N)N=N1

Technology Process of 1H-Benzotriazol-5-amine, 1-methyl-

There total 7 articles about 1H-Benzotriazol-5-amine, 1-methyl- 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: 71.5%

N-(diphenylmethylene)-1-methyl-1H-benzo[d][1,2,3]triazol-5-amine → 1-methyl-1H-benzo [d][1,2,3]triazole-5-amine (27799-83-3)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at 20 ℃;

Reference yield:

1-methyl-5-nitro-1H-benzo[d][1,2,3]triazole (25877-34-3) → 1-methyl-1H-benzo [d][1,2,3]triazole-5-amine (27799-83-3)

Guidance literature:

With hydrogen; nickel; In methanol; under 900.07 Torr;

Reference yield:

5-bromo-1-methyl-1H-benzo[d][1,2,3]triazole (944718-31-4) → 1-methyl-1H-benzo [d][1,2,3]triazole-5-amine (27799-83-3)

Guidance literature:

Multi-step reaction with 2 steps

1: tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate / 1,4-dioxane / 6 h / 100 °C / Inert atmosphere

2: hydrogenchloride / ethyl acetate / 20 °C

With hydrogenchloride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate; In 1,4-dioxane; ethyl acetate;

upstream raw materials:

1-methyl-5-nitro-1H-benzo[d][1,2,3]triazole

5-nitrobenzotriazole

N₁-methyl-4-nitrobenzene-1,2-diamine

5-bromo-1-methyl-1H-benzo[d][1,2,3]triazole