3-(4-Hydroxyphenyl)-1-propanol

Base Information

• Chemical Name: 3-(4-Hydroxyphenyl)-1-propanol
• CAS No.: 10210-17-0
• Molecular Formula: C9H12 O2
• Molecular Weight: 152.193
• Hs Code.: 2907299090
• European Community (EC) Number: 233-511-4
• UNII: 1DJM7P148S
• DSSTox Substance ID: DTXSID80144638
• Nikkaji Number: J227.110I
• Wikidata: Q27252283
• Metabolomics Workbench ID: 45640
• Mol file: 10210-17-0.mol

Synonyms:3-(4-hydroxyphenyl)propanol;HPP cpd

Chemical Property of 3-(4-Hydroxyphenyl)-1-propanol

Chemical Property:

• Vapor Pressure: 0.000239mmHg at 25°C
• Melting Point: 51-54 °C(lit.)
• Boiling Point: 311.6 °C at 760 mmHg
• PKA: 10.05±0.15(Predicted)
• Flash Point: 154.4 °C
• PSA: 40.46000
• Density: 1.129 g/cm³
• LogP: 1.31710
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 95.7

Purity/Quality:

99% ^*data from raw suppliers

3-(4-Hydroxyphenyl)-1-propanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCO)O
• Uses: 3-(4-Hydroxyphenyl)-1-propanol was used in the synthesis of (?)-centrolobine.

Technology Process of 3-(4-Hydroxyphenyl)-1-propanol

There total 46 articles about 3-(4-Hydroxyphenyl)-1-propanol 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%

4-hydroxycinnamic alcohol (3690-05-9) → 3-(4-hydroxyphenyl)propan-1-ol (10210-17-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 12h;

DOI:10.1016/j.ejmech.2013.05.026

Reference yield: 95.5%

methyl 3-(4-acetyloxyphenyl)propanoate (54965-55-8) → 3-(4-hydroxyphenyl)propan-1-ol (10210-17-0)

Guidance literature:

With lithium borohydride; In tetrahydrofuran; at 70 ℃; for 22h;

DOI:10.1021/ja047027t

Reference yield: 95.0%

3-(4-hydroxy-phenyl)-propionic acid ethyl ester (23795-02-0) → 3-(4-hydroxyphenyl)propan-1-ol (10210-17-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.tetlet.2016.06.102

upstream raw materials:

3-(p-methoxyphenyl)-1-propanol

methyl 3-(4-acetyloxyphenyl)propanoate

3-(4-hydroxyphenyl)propanoic acid amide

4-(3-chloropropyl)phenol

Downstream raw materials:

3-[4-(benzyloxy)phenyl]propan-1-ol

3-(4'-hydroxyphenyl)-1-propyl acetate

4,6-dichloro-2-hydroxy-1,3,5-triazine

3-(4-acetoxyphenyl)propyl acetate

Refernces

• 1、 Han, Chun,Huang, Zhangjian,Zheng, Chao,Wan, Ledong,Lai, Yisheng,Peng, Sixun,Ding, Ke,Ji, Hongbin,Zhang, Yihua. "Nitric oxide donating anilinopyrimidines: Synthesis and biological evaluation as EGFR inhibitors". . p. 82 - 90. Retrieved 2013.
• 2、 He, Cheng-Yu,Xie, Li-Bo,Ding, Rui,Tian, Ping,Lin, Guo-Qiang. "Copper-catalyzed asymmetric silylative cyclization of cyclohexadienone-containing 1,6-enynes". . p. 1682 - 1688. Retrieved 2019.
• 3、 Mikitaev,Bedanokov, A. Yu.,Mikitaev. "New approaches to the synthesis of aromatic polyesters". . p. 1998 - 2005. Retrieved 2009.
• 4、 Higuchi et al.. "". . p. 1007,1011. Retrieved 1977.
• 5、 Lam, Thi Bach Tuyet,Iiyama, Kenji,Stone, Bruce A.. "CINNAMIC ACID BRIDGES BETWEEN CELL WALL POLYMERS IN WHEAT AND PHALARIS INTERNODES". . p. 1179 - 1184. Retrieved 1992.
• 6、 Aleku, Godwin A.,Leys, David,Roberts, George W.. "Biocatalytic reduction of α,β-unsaturated carboxylic acids to allylic alcohols". . p. 3927 - 3939. Retrieved 2020/07/09.