4-Biphenylcarboxylic acid hydrazide

Base Information

• Chemical Name: 4-Biphenylcarboxylic acid hydrazide
• CAS No.: 18622-23-6
• Molecular Formula: C13H12N2O
• Molecular Weight: 212.251
• Hs Code.: 2928000090
• European Community (EC) Number: 242-451-8
• NSC Number: 234750
• UNII: 6O3JS9TPA9
• DSSTox Substance ID: DTXSID10171871
• Nikkaji Number: J222.254J
• Wikidata: Q83042022
• Mol file: 18622-23-6.mol

Synonyms:18622-23-6;4-Biphenylcarboxylic acid hydrazide;4-Phenylbenzhydrazide;4-phenylbenzohydrazide;[1,1'-Biphenyl]-4-carbohydrazide;Biphenyl-4-carbohydrazide;p-Phenylbenzhydrazide;p-Phenyl benzhydrazide;1,1'-biphenyl-4-carbohydrazide;(1,1'-Biphenyl)-4-carbohydrazide;1-phenylbenzene-4-carbohydrazide;[1,1'-Biphenyl]-4-carboxylic acid, hydrazide;4-BIPHENYLCARBOXYLICACIDHYDRAZIDE;6O3JS9TPA9;p-Phenylbenzoic acid hydrazide;biphenyl-4-carboxylic acid hydrazide;EINECS 242-451-8;NSC 234750;NSC-234750;(1,1'-Biphenyl)-4-carboxylic acid, hydrazide;4-Phenylbenzoic Hydrazide;NSC234750;4-Phenylbenzoylhydrazine;4-phenylbenzoyl hydrazide;UNII-6O3JS9TPA9;Oprea1_197745;Oprea1_566796;SCHEMBL1706875;Biphenyl-4-carboxylic Hydrazide;4-biphenylcarbonic acid hydrazid;DTXSID10171871;biphenyl-4-carboxylic acid hydrazone;BBL037539;MFCD00017078;STK502409;AKOS000277182;[1,1'-Biphenyl]-4-carbohydrazide #;AS-48167;4-BIPHENYLCARBOXYLIC ACID, HYDRAZIDE;B4350;CS-0168647;FT-0617683;1,1'-Bbiphenyl-4-carboxylic acid, hydrazide;4-biphenylcarboxylic acid hydrazide, AldrichCPR;F19563;A880670;SR-01000314298;SR-01000314298-1;F2102-0079

Chemical Property of 4-Biphenylcarboxylic acid hydrazide

Chemical Property:

• Melting Point: 190-193 °C
• Refractive Index: 1.612
• PKA: 12.55±0.10(Predicted)
• PSA: 55.12000
• Density: 1.164 g/cm³
• LogP: 3.04830
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 212.094963011
• Heavy Atom Count: 16
• Complexity: 228

Purity/Quality:

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

4-BiphenylcarboxylicAcidHydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Biphenylcarboxylic acid hydrazide

There total 5 articles about 4-Biphenylcarboxylic acid hydrazide 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: 96.1%

methyl 4-phenylbenzoate (720-75-2) → 4-phenylbenzohydrazide (18622-23-6)

Guidance literature:

With hydrazine hydrate; In ethanol; at 85 ℃; for 4h;

Reference yield: 85.0%

ethyl 4-phenylbenzoate (6301-56-0) → 4-phenylbenzohydrazide (18622-23-6)

Guidance literature:

With hydrazine hydrate; In ethanol; at 100 ℃; for 3h;

DOI:10.1016/0223-5234(92)90005-L

Reference yield:

biphenyl-4-carboxylic acid (92-92-2) → 4-phenylbenzohydrazide (18622-23-6)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / dimethylformamide / 3 h / Heating

2: 9.43 g / H₂NNH₂*H₂O / tetrahydrofuran / 0.5 h / 0 °C

With thionyl chloride; hydrazine hydrate; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1016/S0968-0896(02)00009-3

upstream raw materials:

ethyl 4-phenylbenzoate

4-biphenyl-carboxylic acid chloride

biphenyl-4-carboxylic acid

methyl 4-phenylbenzoate

Downstream raw materials:

2-([1,1'-biphenyl]-4-yl)-1,3,4-oxadiazole

N-(biphenyl-4-carbonyl)-N'-[1]naphthoyl-hydrazine

3-[(biphenyl-4-carbonylhydrazono)-methyl]-rifamycin

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

Refernces

• 1、 Baud, Damien,Bebrone, Carine,Becker, Katja,Benvenuti, Manuela,Cerboni, Giulia,Chelini, Giulia,Cutolo, Giuliano,De Luca, Filomena,Docquier, Jean-Denis,Feller, Georges,Fischer, Marina,Galleni, Moreno,Gavara, Laurent,Gresh, Nohad,Kwapien, Karolina,Legru, Alice,Mangani, Stefano,Mercuri, Paola,Pozzi, Cecilia,Sannio, Filomena,Sevaille, Laurent,Tanfoni, Silvia,Verdirosa, Federica,Berthomieu, Dorothée,Bestgen, Beno?t,Frère, Jean-Marie,Hernandez, Jean-Fran?ois. "4-Amino-1,2,4-triazole-3-thione-derived Schiff bases as metallo-β-lactamase inhibitors". supporting information. . Retrieved 2020/09/16.
• 2、 Chen, Lixia,Gao, Suyu,Li, Hua,Li, Mingxue,Li, Xingzhou,Liu, Yang,Wu, Canrong,Yang, Kaiyin,Zhang, Yujie,Zheng, Mengzhu. "Structure based discovery of novel hexokinase 2 inhibitors". supporting information. . Retrieved 2020/02/04.