3-(4-Fluorophenyl)propan-1-amine

Base Information

• Chemical Name: 3-(4-Fluorophenyl)propan-1-amine
• CAS No.: 101488-65-7
• Molecular Formula: C9H12FN
• Molecular Weight: 153.199
• DSSTox Substance ID: DTXSID00424328
• Nikkaji Number: J2.748.533B
• Wikidata: Q82236855
• Mol file: 101488-65-7.mol

Synonyms:3-(4-fluorophenyl)propan-1-amine;101488-65-7;3-(4-Fluoro-phenyl)-propylamine;3-(4-fluorophenyl)propylamine;3-(4-fluorophenyl)-propylamine;3-(4-FLUOROPHENYL)-1-PROPANAMINE;4-FLUORO-BENZENEPROPANAMINE;Benzenepropanamine, 4-fluoro-;SCHEMBL1319643;[3-(4-fluorophenyl)propyl]amine;DTXSID00424328;IIFDQESZTDBKEM-UHFFFAOYSA-N;HMS1704M03;3-(4-fluorophenyl)-1-propylamine;3-(4-Fluorophenyl) propan-1-amine;MFCD07374078;STK873733;1-(para-fluorophenyl)-3-aminopropane;AKOS000345102;AB38689;FS-5717;BB 0253611;CS-0117194;FT-0678677;3-(4-fluoro-phenyl)-propylamine, AldrichCPR;C77698;EN300-205292;F9995-2095

Chemical Property of 3-(4-Fluorophenyl)propan-1-amine

Chemical Property:

• Vapor Pressure: 0.0966mmHg at 25°C
• Boiling Point: 223.4°C at 760 mmHg
• PKA: 10.26±0.10(Predicted)
• Flash Point: 98.9°C
• PSA: 26.02000
• Density: 1.044g/cm³
• LogP: 2.41730
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 153.095377549
• Heavy Atom Count: 11
• Complexity: 97.7

Purity/Quality:

98%Min ^*data from raw suppliers

3-(4-Fluorophenyl)propan-1-amine 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCN)F
• Uses: 3-(4-Fluorophenyl)propan-1-amine is a reactant used in the synthesis of triazine-based estrogen receptor modulators that display selectivity for estrogen receptor β.

Technology Process of 3-(4-Fluorophenyl)propan-1-amine

There total 23 articles about 3-(4-Fluorophenyl)propan-1-amine 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: 9.0%

3-(4-fluorophenyl)propyl carbamic acid methyl ester (1403029-82-2) → 8-fluoro-2,3,4,5-tetrahydro-benzo[c]azepin-1-one (1017789-58-0) + 3-(4-fluorophenyl)propan-1-amine (101488-65-7)

Guidance literature:

With trifluorormethanesulfonic acid; at 0 - 70 ℃; for 48h;

DOI:10.1021/jo3020566

Reference yield:

3-(4-fluorophenyl)acrylonitrile (24654-48-6) → 3-(4-fluorophenyl)propan-1-amine (101488-65-7)

Guidance literature:

With ammonia; hydrogen; Raney nickel; In ethanol; at 20 ℃; for 18h; under 1520.1 Torr;

Reference yield:

3-(4'-fluorophenyl)propanenitrile (25468-86-4) → 3-(4-fluorophenyl)propan-1-amine (101488-65-7)

Guidance literature:

With ammonium hydroxide; hydrogen; nickel; In ethanol; for 12h; under 2068.59 Torr;

DOI:10.1016/j.bmc.2006.10.002

upstream raw materials:

3-(4-(fluoro)phenyl)acrylamide

tert-butyl 3-(4-fluorophenyl)propylcarbamate

3-(4'-fluorophenyl)propanenitrile

4-fluoro-1-iodobenzene

Downstream raw materials:

C₁₀H₁₄FNO₂S

1-(para-fluorophenyl)-3-(acetamido)propane

(1R,2S)-[2-({[3-(4-fluoro-phenyl)-propyl]amino}-methyl)-cyclohexyl]-carbamic acid benzyl ester

(2S,3R)-3-amino-1-{ethyl[3-(4-fluorophenyl)propyl]amino}butan-2-ol

Refernces

• 1、 Yi, Ce,Xing, Gang,Wang, Siqi,Li, Xiaoran,Liu, Yichuang,Li, Jinyan,Lin, Bin,Woo, Anthony Yiu-Ho,Zhang, Yuyang,Pan, Li,Cheng, Maosheng. "Design, synthesis and biological evaluation of 8-(2-amino-1-hydroxyethyl)-6-hydroxy-1,4-benzoxazine-3(4H)-one derivatives as potent β2-adrenoceptor agonists". . . Retrieved 2019/11/26.
• 2、 Manickam, Manoj,Jalani, Hitesh B.,Pillaiyar, Thanigaimalai,Boggu, Pulla Reddy,Sharma, Niti,Venkateswararao, Eeda,Lee, You-Jung,Jeon, Eun-Seok,Son, Min-Jeong,Woo, Sun-Hee,Jung, Sang-Hun. "Design and synthesis of sulfonamidophenylethylureas as novel cardiac myosin activator". . p. 1869 - 1887. Retrieved 2017/12/28.