1-methyl-1H-pyrrole-2-carbohydrazide

Base Information

• Chemical Name: 1-methyl-1H-pyrrole-2-carbohydrazide
• CAS No.: 113398-02-0
• Molecular Formula: C6H9 N3 O
• Molecular Weight: 139.157
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50377052
• Wikidata: Q82166089
• Mol file: 113398-02-0.mol

Synonyms:1-methyl-1H-pyrrole-2-carbohydrazide;113398-02-0;1-methylpyrrole-2-carbohydrazide;1H-Pyrrole-2-carboxylic acid, 1-methyl-, hydrazide;1-Methyl-1H-pyrrole-2-carboxylic acid hydrazide;SCHEMBL1877283;DTXSID50377052;JPZLSTHDNAMYND-UHFFFAOYSA-N;HMS1784E01;MFCD00141854;AKOS001107052;SB62699;CS-0441272;FT-0680188;EN300-14157;2F-025;1-methyl-1H-pyrrole-2-carbohydrazide, AldrichCPR;J-504902;Z58982845

Chemical Property of 1-methyl-1H-pyrrole-2-carbohydrazide

Chemical Property:

• Melting Point: 126-128°C
• Boiling Point: °Cat760mmHg
• PKA: 13.40±0.10(Predicted)
• Flash Point: °C
• PSA: 60.05000
• Density: 1.27g/cm³
• LogP: 0.71980
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 139.074561919
• Heavy Atom Count: 10
• Complexity: 137

Purity/Quality:

97% ^*data from raw suppliers

1-Methyl-1H-pyrrole-2-carbohydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:
• Hazard Codes: R20/21/22:
• Statements: 20/21/22
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CC=C1C(=O)NN

Technology Process of 1-methyl-1H-pyrrole-2-carbohydrazide

There total 5 articles about 1-methyl-1H-pyrrole-2-carbohydrazide 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:

ethyl 1-methyl-1H-pyrrole-2-carboxylate (23466-27-5) → 1-methyl-1H-pyrrole-2-carboxylic acid hydrazide (113398-02-0)

Guidance literature:

With hydrazine hydrate; In ethanol; at 100 ℃; Sealed tube;

DOI:10.1016/j.bioorg.2021.105024

Reference yield:

1-Methyl-2-pyrrolecarboxylic acid (6973-60-0) → 1-methyl-1H-pyrrole-2-carboxylic acid hydrazide (113398-02-0)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether

2: ethanol; N₂H₄+H₂O

With diethyl ether; ethanol; hydrazine hydrate;

DOI:10.1021/jo01120a012

Reference yield:

methyl N-methylpyrrole-2-carboxylate (37619-24-2) → 1-methyl-1H-pyrrole-2-carboxylic acid hydrazide (113398-02-0)

Guidance literature:

With ethanol; hydrazine hydrate;

DOI:10.1021/ja01104a046 DOI:10.1021/jo01120a012

upstream raw materials:

methyl N-methylpyrrole-2-carboxylate

N-Methylpyrrole

1-Methyl-2-pyrrolecarboxylic acid

ethyl 1-methyl-1H-pyrrole-2-carboxylate

Downstream raw materials:

[5-(1-Methyl-1H-pyrrol-2-yl)-[1,3,4]oxadiazol-2-ylmethyl]-carbamic acid benzyl ester

1H-pyrrole-2-carboxylic acid, 1-methyl-2-(4-iodobenzoyl)hydrazide

1-methyl-1H-pyrrole-2-carboxylic acid N'-(1-{2-[3-((E)-2-pyridin-2-yl-vinyl)-1H-indazol-6-ylamino]-phenyl}-methanoyl)-hydrazide