2-(1H-pyrrol-1-yl)benzohydrazide

Base Information

• Chemical Name: 2-(1H-pyrrol-1-yl)benzohydrazide
• CAS No.: 31739-63-6
• Molecular Formula: C11H11 N3 O
• Molecular Weight: 201.228
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60352491
• Wikidata: Q82129664
• ChEMBL ID: CHEMBL167260
• Mol file: 31739-63-6.mol

Synonyms:2-(1H-pyrrol-1-yl)benzohydrazide;31739-63-6;2-pyrrol-1-ylbenzohydrazide;2-(1h-pyrrol-1-yl)benzene-1-carbohydrazide;2-Pyrrol-1-yl-benzoic acid hydrazide;CDS1_000497;Maybridge1_002785;CBMicro_022366;Cambridge id 5486382;Oprea1_794587;MLS001017711;DivK1c_001537;CHEMBL167260;SCHEMBL1520747;HMS549G13;DTXSID60352491;HMS2616P11;pyrrol-1-yl benzoic acid hydrazide;CCG-9356;BBL037272;MFCD00118998;STK047602;AKOS000116230;SB62140;SDCCGMLS-0066085.P001;SMR000353924;BIM-0022203.P001;CS-0117720;FT-0711459;EN300-03619;AB00086817-01;SR-01000400660;SR-01000400660-1;SR-01000400660-2;Z56804661

Chemical Property of 2-(1H-pyrrol-1-yl)benzohydrazide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 60.05000
• Density: 1.24g/cm³
• LogP: 2.17200
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 201.090211983
• Heavy Atom Count: 15
• Complexity: 226

Purity/Quality:

98%min ^*data from raw suppliers

2-(1H-Pyrrol-1-yl)benzohydrazide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)NN)N2C=CC=C2

Technology Process of 2-(1H-pyrrol-1-yl)benzohydrazide

There total 2 articles about 2-(1H-pyrrol-1-yl)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: 90.0%

methyl 2-(1H-pyrrol-1-yl)benzoate (10333-67-2) → o-(Pyrryl-1-yl)benzohydrazid (31739-63-6)

Guidance literature:

With hydrazine hydrate; In ethanol; for 3h;

DOI:10.1021/jm00399a021

Reference yield:

→ o-(Pyrryl-1-yl)benzohydrazid (31739-63-6)

Guidance literature:

/BRN= 311672/, N2H4;

DOI:10.1021/jo00824a032

Reference yield: 74.0%

o-(Pyrryl-1-yl)benzohydrazid (31739-63-6) + acetylacetone (123-54-6,81235-32-7) → C16H15N3O

Guidance literature:

With [1,1'-biphenyl]-2,2'-iodonium trifluoromethanesulfonate; In methanol; at 50 ℃; for 6h;

DOI:10.1039/d0ra09640g

upstream raw materials:

methyl 2-(1H-pyrrol-1-yl)benzoate

Refernces