1-(4-Chlorophenyl)propan-1-ol

Base Information

• Chemical Name: 1-(4-Chlorophenyl)propan-1-ol
• CAS No.: 13856-85-4
• Molecular Formula: C9H11 Cl O
• Molecular Weight: 170.639
• Hs Code.: 2906299090
• European Community (EC) Number: 237-591-1
• DSSTox Substance ID: DTXSID70930148
• Nikkaji Number: J280.339I
• ChEMBL ID: CHEMBL2251579
• Mol file: 13856-85-4.mol

Synonyms:1-(4-chlorophenyl)-1-propanol;1-(p-chlorophenyl)-1-propanol

Chemical Property of 1-(4-Chlorophenyl)propan-1-ol

Chemical Property:

• Vapor Pressure: 0.00744mmHg at 25°C
• Boiling Point: 257.5°C at 760 mmHg
• PKA: 14.22±0.20(Predicted)
• Flash Point: 109.5°C
• PSA: 20.23000
• Density: 1.145g/cm³
• LogP: 2.78340
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 170.0498427
• Heavy Atom Count: 11
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C1=CC=C(C=C1)Cl)O

Technology Process of 1-(4-Chlorophenyl)propan-1-ol

There total 23 articles about 1-(4-Chlorophenyl)propan-1-ol 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: 100.0%

4-chlorobenzaldehyde (104-88-1) → 1-(4-chlorophenyl)-1-propanol (13856-85-4)

Guidance literature:

With (R)-2-(1-[(S)-2-(diphenylphosphino)ferrocenylethylimino]methyl)phenol; In hexane; toluene; at 0 ℃; for 48h;

DOI:10.1016/S0022-328X(02)01139-7

Reference yield: 99.0%

4'-chloropropiophenone (6285-05-8) → 1-(4-chlorophenyl)-1-propanol (13856-85-4)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 0 - 20 ℃; for 4h;

DOI:10.1021/jm061475p

Reference yield: 99.0%

diethylzinc (557-20-0) + 4-chlorobenzaldehyde (104-88-1) → 1-(4-chlorophenyl)-1-propanol (13856-85-4)

Guidance literature:

With tetra-n-butylphosphonium chloride; In toluene; at 0 - 23 ℃; chemoselective reaction; Inert atmosphere;

DOI:10.1055/s-0030-1260230

upstream raw materials:

triethyl-alane; compound with diethyl ether

4-chlorobenzaldehyde

4'-chloropropiophenone

ethylmagnesium bromide

Downstream raw materials:

phenylpropane

1-Phenyl-1-propanol

Glutarsaeure-mono-<1-(4-chlor-phenyl)-propylester>

4'-chloropropiophenone

Refernces

• 1、 Tan, Yan-Xi,He, Yan-Ping,Zhang, Jian. "Cluster-organic framework materials as heterogeneous catalysts for high efficient addition reaction of diethylzinc to aromatic aldehydes". . p. 4711 - 4716. Retrieved 2012.
• 2、 Law, Man Chun,Wong, Kwok-Yin,Chan, Tak Hang. "Grignard reagents in ionic liquids". . p. 2457 - 2459. Retrieved 2006.
• 3、 Jia, Wei-Guo,Gao, Li-Li,Zhi, Xue-Ting,Li, Xiao-Dong,Wang, Zhi-Bao,Sun, Ying. "Half-sandwich rhodium complexes with phenylene-based SCS ligands: Synthesis, characterization and catalytic activities for transfer hydrogenation of ketones". . . Retrieved 2020/12/30.
• 4、 Garg, Nidhi,Paira, Soumen,Sundararaju, Basker. "Efficient Transfer Hydrogenation of Ketones using Methanol as Liquid Organic Hydrogen Carrier". . p. 3472 - 3476. Retrieved 2020/05/29.