(R)-1-(3,4-Difluorophenyl)ethanamine

Base Information

• Chemical Name: (R)-1-(3,4-Difluorophenyl)ethanamine
• CAS No.: 321318-15-4
• Molecular Formula: C₈H₉F₂N
• Molecular Weight: 157.163
• Hs Code.: 2921490090
• DSSTox Substance ID: DTXSID70427563
• Mol file: 321318-15-4.mol

Synonyms:(R)-1-(3,4-DIFLUOROPHENYL)ETHANAMINE;321318-15-4;(1R)-1-(3,4-difluorophenyl)ethanamine;(1R)-1-(3,4-difluorophenyl)ethan-1-amine;(R)-1-(3,4-Difluoro-phenyl)-ethylamine;SCHEMBL7785721;AMY6640;DTXSID70427563;Benzenemethanamine, 3,4-difluoro-alpha-methyl-, (alphaR)- (9CI);MFCD06761760;AKOS015840217;DS-4943;(R)-1-(3,4-difluorophenyl)ethan-1-amine;CS-0000317;EN300-55043;N10940;(aR)-3,4-Difluoro-alpha-Methyl-Benzenemethanamine;A821155

Chemical Property of (R)-1-(3,4-Difluorophenyl)ethanamine

Chemical Property:

• Vapor Pressure: 0.676mmHg at 25°C
• Refractive Index: 1.493
• Boiling Point: 186.1 °C at 760 mmHg
• PKA: 8.66±0.10(Predicted)
• Flash Point: 81.4 °C
• PSA: 26.02000
• Density: 1.163 g/cm³
• LogP: 2.68480
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 157.07030562
• Heavy Atom Count: 11
• Complexity: 129

Purity/Quality:

99% ^*data from raw suppliers

(R)-1-(3,4-Difluorophenyl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (R)-1-(3,4-Difluorophenyl)ethanamine

There total 15 articles about (R)-1-(3,4-Difluorophenyl)ethanamine 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: 87.0%

→ C8H9F2N (321318-15-4)

Guidance literature:

With hydrogen; [(R)-BINAP][p-cymene]RuCl₂; ammonium bromide; In methanol; at 90 ℃; for 48h; under 37503.8 Torr; Inert atmosphere; Autoclave;

Reference yield: 83.0%

→ 1-(3,4-difluorophenyl)ethanamine (276875-21-9,321318-15-4)

Guidance literature:

With {RuCl(p-cymene)((S)-2,2'-bis(di-p-tolylphosphino)-1,1'-binaphthyl)}Cl; ammonia; hydrogen; ammonium chloride; In methanol; water; at 90 ℃; for 48h; under 30003 Torr; Autoclave; Inert atmosphere;

Reference yield:

1-(3,4-difluorophenyl)ethanamine (276875-21-9,321318-15-4) → C8H9F2N (276875-21-9,321318-15-4) + 3',4'-difluoroacetophenone (369-33-5)

Guidance literature:

With α-ketoglutaric acid; Polaromonas sp. JS666 (S)-selective ω-transaminase; tris hydrochloride; In water; at 37 ℃; pH=7.5; enantioselective reaction; Enzymatic reaction;

DOI:10.1039/c3cc43348j

upstream raw materials:

3',4'-difluoroacetophenone

1-(3,4-difluorophenyl)ethanamine

(E)-1-(3,4-difluorophenyl)ethan-1-one oxime

(E)-1-(3,4-difluorophenyl)ethanone O-benzyloxime

Downstream raw materials:

(S)-N-[1-(3,4-difluorophenyl)ethyl]acetamide

C₈H₉F₂N

3',4'-difluoroacetophenone

(S)-1-(3,4-difluorophenyl)ethanamine

Refernces

• 1、 Mathew, Sam,Deepankumar, Kanagavel,Shin, Giyoung,Hong, Eun Young,Kim, Byung-Gee,Chung, Taeowan,Yun, Hyungdon. "Identification of novel thermostable ω-transaminase and its application for enzymatic synthesis of chiral amines at high temperature". . p. 69257 - 69260. Retrieved 2016/08/05.
• 2、 -. "PROCESS FOR THE PREPARATION OF CHIRAL AMINES FROM PROCHIRAL KETONES". Page/Page column 5; 6. . Retrieved 2015/12/11.