Hydroxy chlorambucil

Base Information

• Chemical Name: Hydroxy chlorambucil
• CAS No.: 27171-89-7
• Molecular Formula: C14H20 Cl N O3
• Molecular Weight: 285.7665
• NSC Number: 119101
• UNII: 78KV9SFF2R
• DSSTox Substance ID: DTXSID00181641
• Nikkaji Number: J1.021.377K
• Wikidata: Q27266673
• Mol file: 27171-89-7.mol

Synonyms:Hydroxy chlorambucil;27171-89-7;Chlorambucil Impurity A;4-[4-[2-chloroethyl(2-hydroxyethyl)amino]phenyl]butanoic acid;78KV9SFF2R;N-(2-Hydroxyethyl)Chlorambucil;NSC-119101;4-(4-((2-CHLOROETHYL)(2-HYDROXYETHYL)AMINO)PHENYL)BUTANOIC ACID;UNII-78KV9SFF2R;NSC119101;NSC 119101;SCHEMBL19658529;DTXSID00181641;CHLORAMBUCIL IMPURITY A [EP IMPURITY];Q27266673;4-(4-N-(2-CHLOROETHYL)-N-(2-HYDROXYETHYL)AMINOPHENYL)BUTYRIC ACID;BENZENEBUTANOIC ACID, 4-((2-CHLOROETHYL)(2-HYDROXYETHYL)AMINO)-;BUTYRIC ACID, 4-(P-((2-CHLOROETHYL)(2-HYDROXYETHYL)AMINO)PHENYL)-

Chemical Property of Hydroxy chlorambucil

Chemical Property:

• Vapor Pressure: 4.89E-10mmHg at 25°C
• Boiling Point: 480.3°C at 760 mmHg
• Flash Point: 244.3°C
• Density: 1.243g/cm³
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 285.1131712
• Heavy Atom Count: 19
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCC(=O)O)N(CCO)CCCl

Technology Process of Hydroxy chlorambucil

There total 7 articles about Hydroxy chlorambucil 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:

C15H22ClNO3 → 4-butyric acid (27171-89-7)

Guidance literature:

With water; sodium hydroxide; In methanol; at 20 ℃;

Reference yield:

chlorambucil (305-03-3) → 4-butyric acid (27171-89-7)

Guidance literature:

In methanol; water; at 25 ℃; for 2h;

DOI:10.1002/jps.2600690928

Reference yield:

chlorambucil (305-03-3) → 4-butyric acid (27171-89-7) + 4-phenyl>butyric acid (34677-78-6)

Guidance literature:

With nitric acid; at 37 ℃; Rate constant; Mechanism; Product distribution; pH and buffer concentration on rate of hydrolysisand half-life of title compound;

DOI:10.1002/jps.2600710113

upstream raw materials:

chlorambucil

methyl 4-(4-aminophenyl)butanoate

Downstream raw materials:

4-phenyl>butyric acid

Refernces

• 1、 Ehrsson,Eksborg,Wallin,Nilsson. "Degradation of chlorambucil in aqueous solution". . p. 1091 - 1094. Retrieved 1980.
• 2、 Haapala,Hakala,Jokipelto,Vilpo,Hovinen. "Reactions of N,N-Bis(2-chloroethyl)-p-aminophenylbutyric acid (chlorambucil) with 2′-deoxyguanosine". . p. 988 - 995. Retrieved 2007/10/03.