Cas no 83649-48-3 ((R)-3-Amino-3-phenylpropanoic acid hydrochloride)

(R)-3-Amino-3-phenylpropanoic acid hydrochloride structure
83649-48-3 structure
Product Name:(R)-3-Amino-3-phenylpropanoic acid hydrochloride
CAS No:83649-48-3
MF:C9H12ClNO2
MW:201.650081634521
MDL:MFCD03092946
CID:60594
PubChem ID:2734697
Update Time:2024-10-26

(R)-3-Amino-3-phenylpropanoic acid hydrochloride Chemical and Physical Properties

Names and Identifiers

    • (R)-3-Amino-3-phenylpropanoic acid hydrochloride
    • (R)-3-Amino-3-phenylpropionicacid hydrochloride
    • L-BETA-HOMOPHENYLGLYCINE HYDROCHLORIDE
    • H-PHG(C*CH2)OH HCL
    • H-D-BETA-PHE-OH
    • D-BETA-PHENYLALANINE
    • (R)-3-AMINO-3-PHENYLPROPANOIC ACID
    • (R)-(-)-3-AMINO-3-PHENYLPROPIONIC ACID HYDROCHLORIDE
    • (R)-3-AMINO-3-PHENYLPROPIONIC ACID
    • D-(-)-3-Amino-3-phenylpropionic acid
    • R-3-Amino-3-phenyl-propionic acid
    • H-D-b-Phe-OH
    • L-3-amino-3-phenylpropionic acid hydrochloride
    • RARECHEM AK PT 0077
    • Benzenepropanoicacid, b-amino-, hydrochloride, (R)-
    • Benzenepropanoic acid, b-amino-, hydrochloride, (bR)- (9CI)
    • Benzenepropanoic acid, β-amino-, hydrochloride, (R)- (ZCI)
    • Benzenepropanoic acid, β-amino-, hydrochloride, (βR)- (9CI)
    • (3R)-3-Amino-3-phenylpropanoic acid hydrochloride
    • (R)-3-Amino-3-phenylpropionic acid hydrochloride
    • (3R)-3-amino-3-phenylpropanoic acid;hydrochloride
    • (R)-3-AMINO-3-PHENYLPROPANOIC ACID HCL
    • J-502208
    • Z1696091779
    • (R)-3-Amino-3-phenylpropanoicAcidHydrochloride
    • (R)-3-Amino-3-phenylpropionic acid, HCl
    • (R)-beta-Homophenylglycine hydrochloride
    • AC-5692
    • AKOS015889476
    • H-Phg-(C#CH2)OH.HCl
    • DS-16757
    • ABEBCTCOPRULFS-DDWIOCJRSA-N
    • (R)-3-amino-3-phenyl-propionic acid HCl salt
    • SCHEMBL4150999
    • 83649-48-3
    • EN300-70588
    • MFCD03092946
    • MDL: MFCD03092946
    • Inchi: 1S/C9H11NO2.ClH/c10-8(6-9(11)12)7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);1H/t8-;/m1./s1
    • InChI Key: ABEBCTCOPRULFS-DDWIOCJRSA-N
    • SMILES: [C@@H](C1C=CC=CC=1)(N)CC(=O)O.Cl

Computed Properties

  • Exact Mass: 201.05600
  • Monoisotopic Mass: 201.056
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 153
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 63.3A^2

Experimental Properties

  • Color/Form: Not available
  • Melting Point: 163-180 oC
  • Boiling Point: 307.5°C at 760 mmHg
  • Flash Point: 139.8°C
  • PSA: 63.32000
  • LogP: 2.66340
  • Sensitiveness: Air Sensitive
  • Solubility: Not available

(R)-3-Amino-3-phenylpropanoic acid hydrochloride Security Information

  • Hazard Category Code: R34
  • Safety Instruction: S45-S36/37/39-S26
  • Hazardous Material Identification: C
  • Risk Phrases:R34

(R)-3-Amino-3-phenylpropanoic acid hydrochloride Customs Data

  • HS CODE:2922499990
  • Customs Data:

    China Customs Code:

    2922499990

    Overview:

    2922499990 Other amino acids and their esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    P.Imported animals and plants\Quarantine of animal and plant products
    Q.Outbound animals and plants\Quarantine of animal and plant products
    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

(R)-3-Amino-3-phenylpropanoic acid hydrochloride Pricemore >>

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(R)-3-Amino-3-phenylpropanoic acid hydrochloride Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Di-μ-hydroxybis[(2,3,9,10-η)-(1S,4S)-5,6,7,8-tetrafluoro-1,4-dihydro-2,9-bis(phe… Solvents: 1,4-Dioxane ,  Water ;  12 h, 50 °C
2.1 Reagents: Hydrazine hydrate (1:1) Solvents: Ethanol ,  Water ;  3 h, 80 °C
2.2 Reagents: Lithium hydroxide Solvents: Tetrahydrofuran ,  Water ;  2 h, rt
2.3 Reagents: Hydrochloric acid ,  Dowex 50W Solvents: Water ;  rt
Reference
Rhodium-Catalyzed Asymmetric Addition of Arylboronic Acids to β-Phthaliminoacrylate Esters toward the Synthesis of β-Amino Acids
Nishimura, Takahiro; et al, Journal of the American Chemical Society, 2010, 132(2), 464-465

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium carbonate Catalysts: N-[(1S,2S)-2-[Bis[3-[[3-(trihydroxysilyl)propyl]thio]propyl]amino]cyclohexyl]-N′… (Fe3O4 magnetic nanoparticle-bound) Solvents: Toluene ,  Water ;  48 h, -15 °C
2.1 Reagents: Hydrochloric acid Solvents: Water ;  1 h, 100 °C
Reference
Highly enantioselective synthesis of N-protected β-amino malonates catalyzed by magnetically separable heterogeneous rosin-derived amino thiourea catalysts: A stereocontrolled approach to β-amino acids
Zhu, Hao; et al, ChemCatChem, 2013, 5(8), 2187-2190

Production Method 3

Reaction Conditions
1.1 Reagents: Dabco Solvents: Dichloromethane ;  15 min, 0 °C; 2 h, 0 °C; 2 h, rt
2.1 Catalysts: Di-μ-hydroxybis[(2,3,9,10-η)-(1S,4S)-5,6,7,8-tetrafluoro-1,4-dihydro-2,9-bis(phe… Solvents: 1,4-Dioxane ,  Water ;  12 h, 50 °C
3.1 Reagents: Hydrazine hydrate (1:1) Solvents: Ethanol ,  Water ;  3 h, 80 °C
3.2 Reagents: Lithium hydroxide Solvents: Tetrahydrofuran ,  Water ;  2 h, rt
3.3 Reagents: Hydrochloric acid ,  Dowex 50W Solvents: Water ;  rt
Reference
Rhodium-Catalyzed Asymmetric Addition of Arylboronic Acids to β-Phthaliminoacrylate Esters toward the Synthesis of β-Amino Acids
Nishimura, Takahiro; et al, Journal of the American Chemical Society, 2010, 132(2), 464-465

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium bicarbonate Solvents: Water
Reference
An expedient synthesis of 6-arylpiperidine-2,4-diones by chain-extension of β-aryl-β-amino acids
Leflemme, Nicolas; et al, Tetrahedron Letters, 2001, 42(51), 8997-8999

Production Method 5

Reaction Conditions
1.1 Reagents: Ammonium acetate Solvents: Ethanol
2.1 Reagents: Triethylamine Solvents: Acetone ,  Water
3.1 Catalysts: Penicillin amidase (immobilized on Eupergit) Solvents: Ethanol ,  Water
Reference
A Stereoselective Synthesis of (2R,3S)-N-Benzoylphenylisoserine Methyl Ester
Cardillo, Giuliana; et al, Journal of Organic Chemistry, 1998, 63(7), 2351-2353

Production Method 6

Reaction Conditions
1.1 Reagents: Hydrazine hydrate (1:1) Solvents: Ethanol ,  Water ;  3 h, 80 °C
1.2 Reagents: Lithium hydroxide Solvents: Tetrahydrofuran ,  Water ;  2 h, rt
1.3 Reagents: Hydrochloric acid ,  Dowex 50W Solvents: Water ;  rt
Reference
Rhodium-Catalyzed Asymmetric Addition of Arylboronic Acids to β-Phthaliminoacrylate Esters toward the Synthesis of β-Amino Acids
Nishimura, Takahiro; et al, Journal of the American Chemical Society, 2010, 132(2), 464-465

Production Method 7

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Water ;  1 h, 100 °C
Reference
Highly enantioselective synthesis of N-protected β-amino malonates catalyzed by magnetically separable heterogeneous rosin-derived amino thiourea catalysts: A stereocontrolled approach to β-amino acids
Zhu, Hao; et al, ChemCatChem, 2013, 5(8), 2187-2190

Production Method 8

Reaction Conditions
1.1 Catalysts: Penicillin amidase (immobilized on Eupergit) Solvents: Ethanol ,  Water
Reference
A Stereoselective Synthesis of (2R,3S)-N-Benzoylphenylisoserine Methyl Ester
Cardillo, Giuliana; et al, Journal of Organic Chemistry, 1998, 63(7), 2351-2353

Production Method 9

Reaction Conditions
1.1 Reagents: Water Solvents: Isopropanol ;  22 h, 45 °C
1.2 Reagents: Hydrochloric acid Solvents: Water
Reference
Enzymic synthesis of β-aryl and β-heteroaryl-substituted β-amino acid enantiomers
Tasnadi, Gabor; et al, Magyar Kemiai Folyoirat, 2010, 116(3), 131-136

Production Method 10

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Acetone ,  Water
2.1 Catalysts: Penicillin amidase (immobilized on Eupergit) Solvents: Ethanol ,  Water
Reference
A Stereoselective Synthesis of (2R,3S)-N-Benzoylphenylisoserine Methyl Ester
Cardillo, Giuliana; et al, Journal of Organic Chemistry, 1998, 63(7), 2351-2353

Production Method 11

Reaction Conditions
1.1 Solvents: Acetone ,  Water
2.1 Reagents: Sodium bicarbonate Solvents: Water
Reference
An expedient synthesis of 6-arylpiperidine-2,4-diones by chain-extension of β-aryl-β-amino acids
Leflemme, Nicolas; et al, Tetrahedron Letters, 2001, 42(51), 8997-8999

Production Method 12

Reaction Conditions
1.1 Reagents: Thionyl chloride Solvents: Ethanol
1.2 Reagents: Potassium carbonate Solvents: Water
2.1 Reagents: Water Solvents: Isopropanol ;  22 h, 45 °C
2.2 Reagents: Hydrochloric acid Solvents: Water
Reference
Enzymic synthesis of β-aryl and β-heteroaryl-substituted β-amino acid enantiomers
Tasnadi, Gabor; et al, Magyar Kemiai Folyoirat, 2010, 116(3), 131-136

Production Method 13

Reaction Conditions
1.1 Reagents: Ammonium acetate Solvents: Ethanol ;  reflux
2.1 Reagents: Thionyl chloride Solvents: Ethanol
2.2 Reagents: Potassium carbonate Solvents: Water
3.1 Reagents: Water Solvents: Isopropanol ;  22 h, 45 °C
3.2 Reagents: Hydrochloric acid Solvents: Water
Reference
Enzymic synthesis of β-aryl and β-heteroaryl-substituted β-amino acid enantiomers
Tasnadi, Gabor; et al, Magyar Kemiai Folyoirat, 2010, 116(3), 131-136

(R)-3-Amino-3-phenylpropanoic acid hydrochloride Raw materials

(R)-3-Amino-3-phenylpropanoic acid hydrochloride Preparation Products

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