1-(Formamidomethyl)-1H-benzotriazole

Base Information

• Chemical Name: 1-(Formamidomethyl)-1H-benzotriazole
• CAS No.: 87022-36-4
• Molecular Formula: C₈H₈N₄O
• Molecular Weight: 176.178
• Hs Code.: 2933990090
• European Community (EC) Number: 623-046-9
• DSSTox Substance ID: DTXSID60397362
• Nikkaji Number: J1.349.699D
• Wikidata: Q82198637
• Mol file: 87022-36-4.mol

Synonyms:1-(Formamidomethyl)-1H-benzotriazole;87022-36-4;N-(benzotriazol-1-ylmethyl)formamide;N-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)formamide;N-(1H-Benzotriazol-1-ylmethyl)formamide;SCHEMBL2491283;DTXSID60397362;MFCD00134328;AKOS015889189;1-(Formylaminomethyl)-1H-benzotriazole;1-(Formamidomethyl)-1H-benzotriazole ,;N-(1h-benzotriazol-1-ylmethyl)-formamide;CS-0361969;F0339;FT-0642059;D90662;N-(1H-Benzotriazol-1-ylmethyl)formamide, 97%;N-(1H-1,2,3-benzotriazol-1-ylmethyl)formamide

Chemical Property of 1-(Formamidomethyl)-1H-benzotriazole

Chemical Property:

• Vapor Pressure: 5.98E-09mmHg at 25°C
• Melting Point: 135-138 °C(lit.)
• Boiling Point: 468.5°C at 760 mmHg
• Flash Point: 237.1°C
• PSA: 59.81000
• Density: 1.39g/cm³
• LogP: 1.16160
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 176.06981089
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(Formamidomethyl)-1H-benzotriazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=NN2CNC=O
• Uses: 1-(Formamidomethyl)-1H-benzotriazole is a useful reagent for the synthesis 1-?isocyanomethyl azoles and related compounds.

Technology Process of 1-(Formamidomethyl)-1H-benzotriazole

There total 2 articles about 1-(Formamidomethyl)-1H-benzotriazole 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%

1,2,3-Benzotriazole (95-14-7,27556-51-0) + N-(Formylaminomethyl)trimethylammoniumiodid (52322-57-3) → 1-(formylaminoethyl)benzotriazole (87022-36-4)

Guidance literature:

With potassium hydroxide; In methanol; for 8h; Heating;

Reference yield: 63.0%

1,2,3-Benzotriazole (95-14-7,27556-51-0) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + formamide (77287-34-4,77287-35-5,60100-09-6) → 1-(formylaminoethyl)benzotriazole (87022-36-4)

Guidance literature:

In toluene; Heating;

Reference yield: 76.0%

1-(formylaminoethyl)benzotriazole (87022-36-4) → 1-(isocyanomethyl)-1H-benzo[d][1,2,3]triazole (87022-42-2)

Guidance literature:

With tetrachloromethane; triethylamine; triphenylphosphine; In dichloromethane; for 1h; Heating;

upstream raw materials:

1,2,3-Benzotriazole

N-(Formylaminomethyl)trimethylammoniumiodid

formaldehyd

formamide

Downstream raw materials:

1-(isocyanomethyl)-1H-benzo[d][1,2,3]triazole

N'-Benzotriazol-1-ylmethyl-2-[(E)-benzotriazol-1-ylmethylimino]-N,N-dibenzyl-acetamidine