4-Bromo-3-methylbenzohydrazide

Base Information

• Chemical Name: 4-Bromo-3-methylbenzohydrazide
• CAS No.: 148672-43-9
• Molecular Formula: C8H9 Br N2 O
• Molecular Weight: 229.076
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID40397880
• Wikidata: Q72446762
• Mol file: 148672-43-9.mol

Synonyms:4-bromo-3-methylbenzohydrazide;148672-43-9;4-BROMO-3-METHYLBENZHYDRAZIDE;Benzoic acid, 4-bromo-3-methyl-, hydrazide;4-Bromo-3-methylbenzoic hydrazide;SCHEMBL1459893;DTXSID40397880;BFJALHSTCHFUMF-UHFFFAOYSA-N;MFCD00672945;AKOS015835295;SB86322;4-Bromo-3-methyl-benzoic acid hydrazide;CS-0337161;FT-0682147;EN300-7863301

Chemical Property of 4-Bromo-3-methylbenzohydrazide

Chemical Property:

• Refractive Index: 1.602
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 55.12000
• Density: 1.533g/cm³
• LogP: 2.45220
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 227.98983
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

99%, ^*data from raw suppliers

4-Bromo-3-methyl-benzoicAcidHydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C(=O)NN)Br

Technology Process of 4-Bromo-3-methylbenzohydrazide

There total 4 articles about 4-Bromo-3-methylbenzohydrazide 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: 90.5%

N'-(4-bromo-3-methyl-benzoyl)-hydrazinecarboxylic acid tert-butyl ester (1447727-21-0) → 4-bromo-3-methyl-benzoic acid hydrazide (148672-43-9)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at 0 - 30 ℃; for 18h; Inert atmosphere;

Reference yield: 50.0%

4-Bromo-3-methylbenzoic acid methyl ester (148547-19-7) → 4-bromo-3-methyl-benzoic acid hydrazide (148672-43-9)

Guidance literature:

With hydrazine hydrate; In methanol; for 18h; Reflux;

Reference yield:

4-bromo-3-methylbenzoic acid (7697-28-1) → 4-bromo-3-methyl-benzoic acid hydrazide (148672-43-9)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / methanol / 14 h / Reflux

2: hydrazine hydrate / methanol / 18 h / Reflux

With sulfuric acid; hydrazine hydrate; In methanol;

upstream raw materials:

4-bromo-3-methylbenzoic acid

4-Bromo-3-methylbenzoic acid methyl ester

4-bromo-3-methylbenzoyl chloride

N'-(4-bromo-3-methyl-benzoyl)-hydrazinecarboxylic acid tert-butyl ester

Downstream raw materials:

2-(4-bromo-3-methyl-phenyl)-[1,3,4]oxadiazole

2-(4-bromo-3-methyl-phenyl)-5-thioxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-one

C₁₃H₁₄BrN₅O₂S

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