Chloroacetyl-dl-phenylalanine

Base Information

• Chemical Name: Chloroacetyl-dl-phenylalanine
• CAS No.: 7765-11-9
• Molecular Formula: C11H12 Cl N O3
• Molecular Weight: 241.674
• Hs Code.: 2924299090
• European Community (EC) Number: 231-858-6
• NSC Number: 524047,77369
• Mol file: 7765-11-9.mol

Synonyms:Chloroacetyl-dl-phenylalanine;7765-11-9;N-Chloroacetyl-dl-phenylalanine;Chloroac-DL-Phe-OH;2-(2-chloroacetamido)-3-phenylpropanoic acid;2-[(2-chloroacetyl)amino]-3-phenylpropanoic acid;N-(Chloroacetyl)phenylalanine;DL-Phenylalanine, N-(chloroacetyl)-;N-(2-CHLOROACETYL)-L-PHENYLALANINE;NSC77369;Chloracetyl-D,L-phenylalanin;SCHEMBL995229;N-(Chloroacetyl)phenylalanine #;FUHGSOAURCZWCC-UHFFFAOYSA-;EINECS 231-858-6;MFCD00037263;NSC 77369;NSC-77369;NSC524047;STL191449;AKOS001042275;AKOS016043221;N-(Chloroacetyl)-3-phenyl-DL-alanine;Phenylalanine,N-(chloroacetyl)-(9ci);AB02531;HY-W141795;NSC-524047;N-(CHLOROACETYL)-DL-PHENYLALANINE;AS-46961;AI3-63048;CS-0201592;FT-0636594;EN300-17470;F11042;2-[(2-chloroacetyl)amino]-3-phenyl-propanoic acid;Z56943495

Chemical Property of Chloroacetyl-dl-phenylalanine

Chemical Property:

• Vapor Pressure: 4.16E-10mmHg at 25°C
• Melting Point: 127oC
• Boiling Point: 482.2°Cat760mmHg
• Flash Point: 245.4°C
• PSA: 66.40000
• Density: 1.312g/cm³
• LogP: 1.42820
• Storage Temp.: −20°C
• Solubility.: almost transparency in Methanol
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 241.0505709
• Heavy Atom Count: 16
• Complexity: 252

Purity/Quality:

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

2-[(2-Chloroacetyl)amino]-3-phenylpropanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Chloroacetyl-dl-phenylalanine

There total 5 articles about Chloroacetyl-dl-phenylalanine 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: 87.0%

diethyl ether (60-29-7,927820-24-4) + Phenylalanine (150-30-1,25191-15-5,658-69-5,67675-33-6) + chloroacetyl chloride (79-04-9) → N-chloroacetyl-DL-phenylalanine (7765-11-9)

Guidance literature:

In ethyl acetate;

Reference yield: 67.0%

Phenylalanine (150-30-1,25191-15-5,658-69-5,67675-33-6) + chloroacetyl chloride (79-04-9) → N-chloroacetyl-DL-phenylalanine (7765-11-9)

Guidance literature:

In acetonitrile; for 1.5h; Heating;

DOI:10.1021/ja00198a055

Reference yield:

N-formyl-phenylalanine (4289-95-6) → N-chloroacetyl-DL-phenylalanine (7765-11-9)

Guidance literature:

Multi-step reaction with 2 steps

1: brucine; methanol

2: sodium hydroxide; diethyl ether

With methanol; sodium hydroxide; diethyl ether; brucine;

upstream raw materials:

L-phenylalanine

chloroacetyl chloride

Phenylalanine

N-formyl-phenylalanine

Downstream raw materials:

L-phenylalanine

N-Chloroacetyl-D-phenylalanine

N-iodoacetyl-phenylalanine

N-chloroacetyl-phenylalanine ethyl ester

Refernces

• 1、 -. "Halogenated acylamino acids as fungicides". . . Retrieved 2008/06/13.