(R)-3-amino-3-phenylpropanoic acid hydrochloride

Base Information

• Chemical Name: (R)-3-amino-3-phenylpropanoic acid hydrochloride
• CAS No.: 83649-48-3
• Molecular Formula: C9H11NO2^.HCl
• Molecular Weight: 201.653
• Hs Code.: 2922499990
• European Community (EC) Number: 677-035-9
• Mol file: 83649-48-3.mol

Synonyms:83649-48-3;(R)-3-amino-3-phenylpropanoic acid hydrochloride;(R)-3-Amino-3-phenylpropionic acid hydrochloride;L-beta-Homophenylglycine hydrochloride;(3R)-3-amino-3-phenylpropanoic acid;hydrochloride;(R)-3-Amino-3-phenylpropionic acid, HCl;(R)-3-Amino-3-phenylpropanoicAcidHydrochloride;(3R)-3-amino-3-phenylpropanoic acid hydrochloride;H-Phg-(C#CH2)OH.HCl;SCHEMBL4150999;ABEBCTCOPRULFS-DDWIOCJRSA-N;MFCD03092946;AKOS015889476;AC-5692;(R)-beta-Homophenylglycine hydrochloride;DS-16757;EN300-70588;(R)-3-amino-3-phenyl-propionic acid HCl salt;(R)-3-AMINO-3-PHENYLPROPANOIC ACID HCL;J-502208;Z1696091779

Chemical Property of (R)-3-amino-3-phenylpropanoic acid hydrochloride

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.000313mmHg at 25°C
• Melting Point: 163-180 °C
• Boiling Point: 307.5 °C at 760 mmHg
• Flash Point: 139.8 °C
• PSA: 63.32000
• LogP: 2.66340
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Air Sensitive
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 201.0556563
• Heavy Atom Count: 13
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

(R)-3-Amino-3-phenylpropanoicacidhydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CC(=O)O)N.Cl
• Isomeric SMILES: C1=CC=C(C=C1)[C@@H](CC(=O)O)N.Cl

Technology Process of (R)-3-amino-3-phenylpropanoic acid hydrochloride

There total 6 articles about (R)-3-amino-3-phenylpropanoic acid hydrochloride 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: 100.0%

N-(phenylacetyl)-3-amino-3-phenylpropanoic acid (65451-19-6) → (R)-3-amino-3-phenylpropionic acid hydrochloride (83649-48-3) + (S)-3-phenyl-3-(2-phenylacetamido)propanoic acid (65414-83-7)

Guidance literature:

With penicillin G acylase; Eupergit; In ethanol; water; for 4h; Ambient temperature;

DOI:10.1021/jo9714066

Reference yield: 76.0%

(R)-2-(tert-butoxycarbonylaminophenylmethyl)malonic acid dibenzyl ester → (R)-3-amino-3-phenylpropionic acid hydrochloride (83649-48-3)

Guidance literature:

With hydrogenchloride; In water; at 100 ℃; for 2h;

DOI:10.1002/cctc.201300089

Reference yield:

(R)-3-phenyl-3-aminopropionic acid (614-19-7,3646-50-2,13921-90-9,40856-44-8) → (R)-3-amino-3-phenylpropionic acid hydrochloride (83649-48-3)

Guidance literature:

With hydrogenchloride; In water;

DOI:10.1021/ja909642h

upstream raw materials:

L-3-(N-formylamino)-3-phenylpropionic acid

N-(phenylacetyl)-3-amino-3-phenylpropanoic acid

3-Amino-3-phenylpropionic acid

benzaldehyde

Downstream raw materials:

(3R)-N-benzyloxycarbonyl-3-amino-3-phenylpropanoic acid

(4S,5R)-2,4-diphenyl-2-oxazoline-5-carboxylic acid methyl ester

(R)-3-benzamido-3-phenylpropanoic acid methyl ester

methyl (2R,3S)-3-benzoylamino-2-hydroxy-3-phenylpropanoate

Refernces

• 1、 Nishimura, Takahiro,Wang, Jun,Nagaosa, Makoto,Okamoto, Kazuhiro,Shintani, Ryo,Kwong, Fuk-Yee,Yu, Wing-Yiu,Chan, Albert S. C.,Hayashi, Tamio. "Rhodium-catalyzed asymmetric addition of arylboronic acids to β-phthaliminoacrylate esters toward the synthesis of β-amino acids". supporting information; experimental part. p. 464 - 465. Retrieved 2010/03/25.
• 2、 Zemlicka,Bhuta,Bhuta. "Analogues of 2'(3')-O-L-phenylalanyladenosine as substrates and inhibitors of ribosomal peptidyltransferase". . p. 167 - 174. Retrieved 2007/10/02.