gamma-Phenylthioureidobutyric acid

Base Information

• Chemical Name: gamma-Phenylthioureidobutyric acid
• CAS No.: 25759-76-6
• Molecular Formula: C11H14 N2 O2 S
• Molecular Weight: 238.3061
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID00180432
• Nikkaji Number: J77.614I
• Mol file: 25759-76-6.mol

Synonyms:gamma-Phenylthioureidobutyric acid;25759-76-6;4-(3-Phenyl-2-thioureido)butyric acid;BRN 2118584;4-(((Phenylamino)thioxomethyl)amino)butanoic acid;Butanoic acid, 4-(((phenylamino)thioxomethyl)amino)-;BUTYRIC ACID, 4-(3-PHENYL-2-THIOUREIDO)-;Butanoic acid, 4-(((phenylamino)thioxomethyl)amino)- (9CI);SR-01000221569;SCHEMBL11672644;DTXSID00180432;AKOS000509719;LS-48157;4-[(anilinocarbothioyl)amino]butanoic acid;4-[(PHENYLCARBAMOTHIOYL)AMINO]BUTANOIC ACID;SR-01000221569-1;SR-01000221569-2

Chemical Property of gamma-Phenylthioureidobutyric acid

Chemical Property:

• Vapor Pressure: 1.15E-07mmHg at 25°C
• Boiling Point: 416.1°Cat760mmHg
• Flash Point: 205.4°C
• PSA: 100.49000
• Density: 1.299g/cm³
• LogP: 2.32210
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 238.07759887
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=S)NCCCC(=O)O

Technology Process of gamma-Phenylthioureidobutyric acid

There total 2 articles about gamma-Phenylthioureidobutyric acid 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: 98.0%

phenyl isothiocyanate (103-72-0) + 4-amino-n-butyric acid (56-12-2) → N-(phenylthiocarbamoyl)-γ-aminobutyric acid (25759-76-6)

Guidance literature:

With sodium carbonate; In acetone; for 4h; Ambient temperature;

DOI:10.1016/0223-5234(91)90122-4

Reference yield:

→ N-(phenylthiocarbamoyl)-γ-aminobutyric acid (25759-76-6)

Guidance literature:

PhNCS, HOOC(CH2)3NH2;

upstream raw materials:

phenyl isothiocyanate

4-amino-n-butyric acid

Refernces

• 1、 Lammens, Tijs M.,De Biase, Daniela,Franssen, Maurice C. R.,Scott, Elinor L.,Sanders, Johan P. M.. "The application of glutamic acid α-decarboxylase for the valorization of glutamic acid". body text. p. 1562 - 1567. Retrieved 2010/06/17.