3-(Dimethylamino)benzohydrazide

Base Information

• Chemical Name: 3-(Dimethylamino)benzohydrazide
• CAS No.: 205927-64-6
• Molecular Formula: C₉H₁₃N₃O
• Molecular Weight: 179.222
• European Community (EC) Number: 841-064-7
• DSSTox Substance ID: DTXSID90366243
• Wikidata: Q27454479
• Mol file: 205927-64-6.mol

Synonyms:3-(dimethylamino)benzohydrazide;205927-64-6;3-(Dimethylamino)benzhydrazide;47S;Benzoic acid, 3-(dimethylamino)-, hydrazide;DTXSID90366243;HMS1782L03;CS-B1371;BBL016644;MFCD00238588;STK426089;AKOS000265364;BS-3970;3-(dimethylamino)benzhydrazide, AldrichCPR;EN300-03855;J-013449;Q27454479;Z56858159

Chemical Property of 3-(Dimethylamino)benzohydrazide

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 179.105862047
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

97% ^*data from raw suppliers

3-(Dimethylamino)benzhydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=CC(=C1)C(=O)NN

Technology Process of 3-(Dimethylamino)benzohydrazide

There total 5 articles about 3-(Dimethylamino)benzohydrazide 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:

m-dimethylaminobenzoic acid ethyl ester (16518-65-3) → 3-dimethylaminobenzoylhydrazide (205927-64-6)

Guidance literature:

With hydrazine hydrate;

DOI:10.1002/cjoc.201180373

Reference yield:

3-(dimethylamino)benzoic acid (99-64-9) → 3-dimethylaminobenzoylhydrazide (205927-64-6)

Guidance literature:

Multi-step reaction with 2 steps

1: EDCI; 4-(N,N-dimethylamino)pyridine / tetrahydrofuran; dimethylformamide / 17 h / 20 °C

2: trifluoroacetic acid / CH₂Cl₂ / 2 h / 0 °C

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; trifluoroacetic acid; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm010231w

Reference yield:

N'-(3-dimethylamino-benzoyl)-hydrazinecarboxylic acid tert-butyl ester (1026814-43-6) → 3-dimethylaminobenzoylhydrazide (205927-64-6)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 ℃; for 2h;

DOI:10.1021/jm010231w

upstream raw materials:

N'-(3-dimethylamino-benzoyl)-hydrazinecarboxylic acid tert-butyl ester

3-(dimethylamino)benzoic acid

3-(dimethylamino)benzoic acid methyl ester

3-(dimethylamino)benzoyl chloride

Downstream raw materials:

N,N-dimethyl-3-(1,3,4-oxadiazol-2-yl)aniline

1-(2-chloro-5-thiazolylmethyl)-3-methyl-5-(-3-N,N-dimethylaminobenzamido)-1,3,5-hexahydrotriazine-2-N-nitroimine

C₁₆H₁₇N₃O₂