dl-Alanyl-dl-phenylalanine

Base Information

• Chemical Name: dl-Alanyl-dl-phenylalanine
• CAS No.: 1999-45-7
• Molecular Formula: C12H16N2O3
• Molecular Weight: 236.271
• Hs Code.: 2924299090
• European Community (EC) Number: 217-885-6
• NSC Number: 339933,118375,89668,89630
• DSSTox Substance ID: DTXSID40941963
• ChEMBL ID: CHEMBL161461
• Mol file: 1999-45-7.mol

Synonyms:dl-Alanyl-dl-phenylalanine;1999-45-7;2-(2-aminopropanamido)-3-phenylpropanoic acid;alanyl-DL-phenylalanine;2-(2-aminopropanoylamino)-3-phenylpropanoic acid;H-Ala-Phe-OH;DL-Ala-DL-Phe;CHEMBL161461;DL-Phenylalanine, N-DL-alanyl-;N-DL-Alanyl-DL-3-phenylalanine;EINECS 217-885-6;L-Phenylalanine, N-L-alanyl-;NSC89630;NSC-89630;Phenylalanine,alanyl-;Spectrum_000420;2-(2-Amino-propionylamino)-3-phenyl-propionic acid;dl-Alanyl-l-phenylalanine;Spectrum2_001347;H-DL-Ala-DL-Phe-OH;KBioSS_000900;(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;DivK1c_000446;SPBio_001533;(2S)-2-[(2S)-2-AMINOPROPANAMIDO]-3-PHENYLPROPANOIC ACID;SCHEMBL2597740;HMS501G08;KBio1_000446;KBio2_000900;KBio2_003468;KBio2_006036;DTXSID40941963;CHEBI:137013;NINDS_000446;BAA99945;NSC89668;BDBM50085098;CCG-39285;MFCD00008074;N-(2-Aminopropanoyl)phenylalanine #;NSC-89668;NSC118375;NSC339933;AKOS009157695;NSC 118375;NSC-118375;NSC-339933;IDI1_000446;LS-14092;A0223;FT-0633968;FT-0634630;FT-0634631;FT-0634632;FT-0634633;N-(2-Amino-1-hydroxypropylidene)phenylalanine;T70522;59905-28-1

Chemical Property of dl-Alanyl-dl-phenylalanine

Chemical Property:

• Vapor Pressure: 2.54E-10mmHg at 25°C
• Refractive Index: 1.565
• Boiling Point: 487.6 ºC at 760 mmHg
• PKA: 3.41±0.10(Predicted)
• Flash Point: 248.7 ºC
• PSA: 92.42000
• Density: 1.222 g/cm³
• LogP: 1.23690
• Storage Temp.: 2-8°C
• Water Solubility.: almost transparency
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 236.11609238
• Heavy Atom Count: 17
• Complexity: 275

Purity/Quality:

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

DL-Alanyl-DL-phenylalanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N

Technology Process of dl-Alanyl-dl-phenylalanine

There total 4 articles about dl-Alanyl-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: 92.0%

C57H63N6O13P → DL-alanyl-DL-phenylalanine (1999-45-7)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; at 20 ℃; for 3h;

DOI:10.1021/acs.joc.9b03023

Reference yield:

→ DL-alanyl-DL-phenylalanine (1999-45-7)

Guidance literature:

With ammonium hydroxide; at 100 ℃;

Reference yield:

Cbz-HN-Ala-Phe (19542-43-9) → DL-alanyl-DL-phenylalanine (1999-45-7)

Guidance literature:

With triethylsilane; triethylamine; palladium dichloride; Heating;

upstream raw materials:

Cbz-HN-Ala-Phe

Downstream raw materials:

1-(2'-cyanoethyl)-2-benzyl-6-methyl-2,5(4H)-piperazinedione

N-Pyruvylphenylalanine

2-[2-(2-Cyano-ethylamino)-propionylamino]-3-phenyl-propionic acid

Refernces