Propanoic acid, 2-phenylhydrazide

Base Information

• Chemical Name: Propanoic acid, 2-phenylhydrazide
• CAS No.: 20730-02-3
• Molecular Formula: C9H12 N2 O
• Molecular Weight: 164.207
• Hs Code.: 2928000090
• European Community (EC) Number: 653-971-3
• NSC Number: 19564
• UNII: V75NAQ1AGL
• DSSTox Substance ID: DTXSID50174801
• Nikkaji Number: J51.092K
• Wikidata: Q83044949
• Mol file: 20730-02-3.mol

Synonyms:20730-02-3;N'-phenylpropanehydrazide;Propanoic acid, 2-phenylhydrazide;N'-Phenylpropionohydrazide;Propionic acid 2-phenylhydrazide;Propionic acid, 2-phenylhydrazide;propionic acid n'-phenyl-hydrazide;N-phenyl-n'-propionylhydrazine;Fenylhydrazid kyseliny propionove;NSC 19564;V75NAQ1AGL;N-Phenylpropionic hydrazide;BRN 0639462;Fenylhydrazid kyseliny propionove [Czech];Propionic acid phenylhydrazide;AI3-01559;.beta.-Propionyl phenyl hydrazine;N'-Phenylpropionic acid hydrazide;NSC-19564;4-15-00-00165 (Beilstein Handbook Reference);N'-Phenylpropanohydrazide;Maybridge1_002046;UNII-V75NAQ1AGL;N'-Phenylpropanohydrazide #;N-Propionyl-N'-phenyl-hydrazin;SCHEMBL1531488;HMS547E22;DTXSID50174801;Phennylhydrazino, N-2-propionyl-;N'-phenyl-propionic acid hydrazide;BETA-PROPIONYLPHENYLHYDRAZINE;NSC19564;CCG-49440;MFCD00026999;N-PROPANOYL-N'-PHENYLHYDRAZINE;AKOS005203229;N-PROPIONIC ACID PHENYLHYDRAZIDE;SB85988;LS-124840;CS-0336494;FT-0638036;A814841;SR-01000638892-1;F0001-0737

Chemical Property of Propanoic acid, 2-phenylhydrazide

Chemical Property:

• Melting Point: 157-159 °C
• Boiling Point: 233.4±13.0 °C(Predicted)
• PKA: 12.75±0.41(Predicted)
• Flash Point: 91.8oC
• PSA: 41.13000
• Density: 1 +-.0.06 g/cm3(Predicted)
• LogP: 2.00360
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.094963011
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

98%min ^*data from raw suppliers

Propionic acid N'-phenyl-hydrazide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)NNC1=CC=CC=C1

Technology Process of Propanoic acid, 2-phenylhydrazide

There total 9 articles about Propanoic acid, 2-phenylhydrazide 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: 80.0%

propionic acid (802294-64-0,79-09-4) + phenylhydrazine (100-63-0) → propionic acid 2-phenylhydrazide (20730-02-3)

Guidance literature:

at 80 ℃; for 1.5h;

DOI:10.1139/v98-125

Reference yield: 72.0%

propionyl chloride (79-03-8) + phenylhydrazine (100-63-0) → propionic acid 2-phenylhydrazide (20730-02-3)

Guidance literature:

With triethylamine; In diethyl ether; 1.) 0 deg C, 2.) reflux, 1 h;

DOI:10.1016/S0040-4020(01)87652-3

Reference yield: 55.0%

1-(1H-benzo[d][1,2,3]triazol-1-yl)propan-1-one (54264-50-5) + phenylhydrazine (100-63-0) → propionic acid 2-phenylhydrazide (20730-02-3)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 5h;

upstream raw materials:

(1-nitro-propylidene)-phenyl-hydrazine

propionic acid

phenylhydrazine

Ethyl propionate

Downstream raw materials:

5-ethyl-3-phenyl-1,3,4-oxadiazol-2(3H)-one

3-methylindolin-2-one

N-phenyl-N'-propyl-hydrazine

N,N-Diphenyl-N'-propionylhydrazine

Refernces

• 1、 Voronin, Vladimir V.,Ledovskaya, Maria S.,Gordeev, Evgeniy G.,Rodygin, Konstantin S.,Ananikov, Valentine P.. "[3+2]-cycloaddition of in situ generated nitrile imines and acetylene for assembling of 1,3-disubstituted pyrazoles with quantitative deuterium labeling". . p. 3819 - 3828. Retrieved 2018/04/14.
• 2、 Wang, Xiaoxia,Yu, Hongping,Xu, Peifang,Zheng, Renwei. "A facile synthesis of acylhydrazines from acylbenzotriazoles". . p. 595 - 597. Retrieved 2007/10/03.