(S)-1-Cyclopropylethylamine

Base Information

• Chemical Name: (S)-1-Cyclopropylethylamine
• CAS No.: 195604-39-8
• Molecular Formula: C₅H₁₁N
• Molecular Weight: 85.149
• Hs Code.: 2921300090
• European Community (EC) Number: 663-008-9
• Nikkaji Number: J741.520F
• Mol file: 195604-39-8.mol

Synonyms:195604-39-8;(S)-1-Cyclopropylethanamine;(S)-1-CYCLOPROPYLETHYLAMINE;(1S)-1-cyclopropylethanamine;(1S)-1-cyclopropylethan-1-amine;MFCD08064289;(S)-1-cyclopropylethan-1-amine;(1 S)-1-Cyclopropylethanamine;IXCXVGWKYIDNOS-BYPYZUCNSA-N;N-((S)-1-cyclopropyl-ethyl)-amine;AKOS006240506;(S)-alpha-Methylcyclopropanemethylamine;CS-0021370;EN300-81711;(S)-1-Cyclopropylethylamine, 98%, ee 98+%;N10509;A880127;(S)-1-Cyclopropylethylamine, ChiPros(R), produced by BASF, 99%

Chemical Property of (S)-1-Cyclopropylethylamine

Chemical Property:

• Vapor Pressure: 33.4mmHg at 25°C
• Melting Point: -68℃
• Refractive Index: 1.486
• Boiling Point: 102.6 °C at 760 mmHg
• PKA: 10.87±0.29(Predicted)
• Flash Point: 9.5 °C
• PSA: 26.02000
• Density: 0.92 g/cm³
• LogP: 1.44390
• Sensitive.: Air Sensitive
• Water Solubility.: Miscible with water.
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 85.089149355
• Heavy Atom Count: 6
• Complexity: 47.9

Purity/Quality:

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

(S)-1-Cyclopropylethylamine ChiPros , produced by BASF, 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,C
• Hazard Codes: F,C
• Statements: 11-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1CC1)N
• Isomeric SMILES: C[C@@H](C1CC1)N
• Uses: (S)-1-Cyclopropylethylamine acts as a chiral and organic building block in organic synthesis.

Technology Process of (S)-1-Cyclopropylethylamine

There total 16 articles about (S)-1-Cyclopropylethylamine 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:

Cyclopropyl methyl ketone (765-43-5) + benzylamine (100-46-9) → 1-cyclopropylethylamine (6240-96-6,10367-78-9,1621-24-5,195604-39-8) + benzaldehyde (100-52-7)

Guidance literature:

With S-selective ω-transaminase from paracoccus denitrificans transaminase; NAD; aldehyde dehydrogenase; In dimethyl sulfoxide; Reagent/catalyst; Enzymatic reaction;

DOI:10.1002/cctc.201900399

Reference yield:

L-threonine (72-19-5,134357-96-3,7013-32-3,82822-12-6) + 1-cyclopropylethylamine (6240-96-6,10367-78-9,1621-24-5,195604-39-8) → Cyclopropyl methyl ketone (765-43-5) + L-2-aminobutyric acid (1492-24-6) + (1R)-1-cyclopropylethan-1-amine (6240-96-6,195604-39-8)

Guidance literature:

With (S)-selective ω-transaminase from Ochrobactrum anthropi; L-threonine deaminase from Escherichia coli; pyridoxal 5'-phosphate; at 37 ℃; for 8h; pH=7.5; optical yield given as %ee; enantioselective reaction; aq. phosphate buffer; Resolution of racemate; Enzymatic reaction;

DOI:10.1039/c2gc35615e

Reference yield:

(1-cyclopropyl-ethyl)-(1-phenyl-ethyl)-amine; hydrochloride → 1-cyclopropylethylamine (6240-96-6,10367-78-9,1621-24-5,195604-39-8)

Guidance literature:

With hydrogen; palladium dihydroxide; In methanol; at 20 ℃; under 750.075 Torr;

DOI:10.1021/jm020910m

upstream raw materials:

cyclopropyl methyl ketone oxime

Cyclopropyl methyl ketone

benzylamine

1-cyclopropylethylamine

Downstream raw materials:

(1-cyclopropyl-ethyl)-[4-(2,4-dichloro-phenyl)-3-nitro-pyridin-2-yl]-amine

Refernces

• 1、 Han, Sang-Woo,Shin, Jong-Shik. "Rapid and Quantitative Profiling of Substrate Specificity of ω-Transaminases for Ketones". . p. 3287 - 3295. Retrieved 2019/06/21.
• 2、 Han, Sang-Woo,Park, Eul-Soo,Dong, Joo-Young,Shin, Jong-Shik. "Mechanism-Guided Engineering of ω-Transaminase to Accelerate Reductive Amination of Ketones". . p. 1732 - 1740. Retrieved 2015/06/02.