(R)-(+)-1-Phenylpropylamine

Base Information

• Chemical Name: (R)-(+)-1-Phenylpropylamine
• CAS No.: 3082-64-2
• Molecular Formula: C₉H₁₃N
• Molecular Weight: 135.209
• Hs Code.: 2921499090
• European Community (EC) Number: 608-544-6
• DSSTox Substance ID: DTXSID00415973
• Nikkaji Number: J57.047H
• Wikidata: Q72498441
• Mol file: 3082-64-2.mol

Synonyms:3082-64-2;(R)-(+)-1-Phenylpropylamine;(R)-1-phenylpropan-1-amine;(1R)-1-phenylpropan-1-amine;(R)-(+)-alpha-Ethylbenzylamine;(R)-1-Phenylpropylamine;(R)-(+)-alpha -Ethylbenzylamine;(R)-(+)-1-Amino-1-phenylpropane;EC 608-544-6;(1R)-1-Phenylpropylamine;(R)-(+)-mEthylbenzylamine;R(+)-alpha-ethylbenzylamine;(1r)-phenylpropylamine;1(r)-phenylpropylamine;(r)-1-phenyl-propylamine;(R)-alpha-ethylbenzylamine;r-(+)-alpha-ethylbenzylamine;(R)-1-(phenyl)-propylamine;SCHEMBL176808;(R)-(+)-1-phenyl-propylamine;(R)-alpha-Ethylbenzenemethanamine;DTXSID00415973;AQFLVLHRZFLDDV-SECBINFHSA-N;MFCD00083057;AKOS012524530;CS-W013344;DS-10990;EN300-136410;J-018156;(R)-(+)-alpha-Ethylbenzylamine, ChiPros(R), produced by BASF, >=99.0%

Chemical Property of (R)-(+)-1-Phenylpropylamine

Chemical Property:

• Vapor Pressure: 0.272mmHg at 25°C
• Melting Point: -69 °C
• Refractive Index: n20/D 1.520
• Boiling Point: 203.9 °C at 760 mmHg
• PKA: 9.34±0.10(Predicted)
• Flash Point: 85.1 °C
• PSA: 26.02000
• Density: 0.944 g/cm³
• LogP: 2.79670
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Air Sensitive
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.104799419
• Heavy Atom Count: 10
• Complexity: 84.7

Purity/Quality:

≥99% ^*data from raw suppliers

(R)-(+)-α-Ethylbenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 22-34
• Safety Statements: 26-36/37/39-45-39-37-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=CC=CC=C1)N
• Isomeric SMILES: CC[C@H](C1=CC=CC=C1)N
• Uses: For synthesis of optically active products (R)-(+)-1-Phenylpropylamine is a chiral phenylalkylamine derivative used in metabolic Cytochrome P-455 nm complex formation studies.

Technology Process of (R)-(+)-1-Phenylpropylamine

There total 65 articles about (R)-(+)-1-Phenylpropylamine 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: 98.0%

2-Methyl-propane-2-sulfinic acid [1-phenyl-prop-(E)-ylidene]-amide → 1-phenylpropylamine (2941-20-0,3082-64-2,3789-59-1,35600-74-9)

Guidance literature:

2-Methyl-propane-2-sulfinic acid [1-phenyl-prop-(E)-ylidene]-amide; With [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; potassium tert-butylate; 2-Amino-2-methyl-1-propanol; In isopropyl alcohol; at 50 ℃; for 2h; Molecular sieve;

With hydrogenchloride; In methanol; optical yield given as %ee; diastereoselective reaction;

DOI:10.1016/j.tetlet.2010.12.031

Reference yield: 98.0%

C13H19NOS (1268480-96-1) → 1-phenylpropylamine (2941-20-0,3082-64-2,3789-59-1,35600-74-9)

Guidance literature:

C₁₃H₁₉NOS; With [RhCl₂(p-cymene)]2; potassium tert-butylate; (1S,2R)-1-amino-2-indanol; In isopropyl alcohol; at 40 ℃; for 4h; Molecular sieve;

With hydrogenchloride; In methanol; optical yield given as %ee; stereoselective reaction;

DOI:10.1016/j.tetlet.2009.07.044

Reference yield: 97.0%

triethyl borane (97-94-9) + (1S,3S,4R)-2-benzyl-3-[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]-2-thioniabicyclo[2.2.1]heptane tetrafluoroborate → 1-phenylpropylamine (2941-20-0,3082-64-2,3789-59-1,35600-74-9)

Guidance literature:

(1S,3S,4R)-2-benzyl-3-[(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]-2-thioniabicyclo[2.2.1]heptane tetrafluoroborate; With lithium hexamethyldisilazane; In tetrahydrofuran; dichloromethane; at -78 ℃; for 1h;

triethyl borane; In tetrahydrofuran; dichloromethane; at -100 - 0 ℃;

With hydroxylamine-O-sulfonic acid; In tetrahydrofuran; dichloromethane; at 0 - 20 ℃; Further stages.;

DOI:10.1021/ja074110i

upstream raw materials:

1-phenylpropylamine

(S)-1-bromo-1-phenyl-propane

Propiophenonbenzoylhydrazon

propiophenone oxime

Downstream raw materials:

2-Acetylamino-N-((R)-1-phenyl-propyl)-acrylamide

((R)-1-Phenyl-propyl)-prop-(E)-ylidene-amine

[2-Methyl-prop-(E)-ylidene]-((R)-1-phenyl-propyl)-amine

(R)-(+)-1-phenylpropyl isocyanate

Refernces

Asymmetric Syntheses of Amino Acids by Addition of Cyanide to the Schiff Bases in the Presence of Cyanide-Modified Hemin-Copolymer

10.1016/S0040-4039(01)80738-3

The research aimed to achieve asymmetric syntheses of amino acids through the addition of cyanide to Schiff bases in the presence of a cyanide-modified hemin-copolymer. The purpose was to enhance the optical yields of resulting amino acids by utilizing the steric control provided by the hemin-copolymer, which contains a large π electron system and shows aromatic properties. The study concluded that the optical yields (80-95% e.e.) were significantly higher than those obtained without the hemin-copolymer, indicating that the hemin in the copolymer provided strong steric control in the asymmetric addition of the CN group. Key chemicals used in the process included hemin, divinylbenzene, 2-methyl-5-vinylpyridine for the preparation of the hemin-copolymer, potassium cyanide for CN-modification, optically active amines such as (R)- and (S)-1-phenyl-1-ethylamine, (R)-1-phenyl-1-propylamine, and (R)-1-naphthyl-1-ethylamine, aliphatic aldehydes, and anhydrous sodium sulfate in the preparation of Schiff bases. The synthesized amino acids were then converted to N-trifluoroacetyl amino acid isopropyl esters for enantiomeric excess determination by gas chromatography using a chiral stationary phase.

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