2-Phenyl-1,2-propanediol

Base Information

• Chemical Name: 2-Phenyl-1,2-propanediol
• CAS No.: 4217-66-7
• Deprecated CAS: 87760-50-7
• Molecular Formula: C9H12 O2
• Molecular Weight: 152.193
• Hs Code.: 2906299090
• European Community (EC) Number: 224-154-5
• NSC Number: 51067
• DSSTox Substance ID: DTXSID50863344
• Nikkaji Number: J225.004G
• Wikidata: Q27225114
• Mol file: 4217-66-7.mol

Synonyms:2-phenoxy-1-propanol

Chemical Property of 2-Phenyl-1,2-propanediol

Chemical Property:

• Vapor Pressure: 0.000503mmHg at 25°C
• Melting Point: 44-45 ºC
• Refractive Index: 1.4910 (estimate)
• Boiling Point: 160-162 ºC (26 mmHg)
• Flash Point: 113 ºC
• PSA: 40.46000
• Density: 1.13g/cm³
• LogP: 0.88640
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

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

2-Phenyl-1,2-propanediol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CO)(C1=CC=CC=C1)O
• Uses: 2-Phenyl-1,2-propanediol is used in method of manufacturing styrene epoxide by epoxidation of styrene derivatives with hydrogen peroxide in presence of tungstic acid salt, ammonium salt, and phosphoric acid.

Technology Process of 2-Phenyl-1,2-propanediol

There total 156 articles about 2-Phenyl-1,2-propanediol 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%

isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) → 1,2-dihydroxy-2-phenylpropane (4217-66-7)

Guidance literature:

With osmium(VIII) oxide; cinchona alkaloid on mesoporous SBA-15 silica support; at 0 ℃; for 24h;

DOI:10.1016/S0957-4166(01)00284-1

Reference yield: 97.0%

2-methyl-2-phenyloxirane (2085-88-3) → 1,2-dihydroxy-2-phenylpropane (4217-66-7)

Guidance literature:

With water; at 60 ℃; for 1h;

DOI:10.1021/jo702401t

Reference yield: 96.0%

N-[(2-hydroxy-2-phenyl)propyloxycarbonyl]pyrrolidine → 1,2-dihydroxy-2-phenylpropane (4217-66-7)

Guidance literature:

With water; diisobutylaluminium hydride; In tetrahydrofuran; for 6h; Heating;

DOI:10.1002/(SICI)1099-0690(199911)1999:11<3005::AID-EJOC3005>3.0.CO;2-7

upstream raw materials:

2-methyl-2-phenyloxirane

2-phenyllactic acid

(+/-)-2-chloro-2-phenyl-propionic acid

atrolactic acid ethyl ester

Downstream raw materials:

6-bromo-1,1-dioxo-3-(1-phenyl-ethyl)-1,2,3,4-tetrahydro-1λ⁶-benzo[1,2,4]thiadiazine-7-sulfonic acid amide

2-phenylpropane-1,2-diyl diacetate

1-benzoyloxy-2-phenyl-propan-2-ol

(R)-(+)-2-cyclohexylpropane-1,2-diol

Refernces

• 1、 Gao, Xiaofang,Lin, Jiani,Zhang, Li,Lou, Xinyao,Guo, Guanghui,Peng, Na,Xu, Huan,Liu, Yi. "Iodine-Initiated Dioxygenation of Aryl Alkenes Using tert-Butylhydroperoxides and Water: A Route to Vicinal Diols and Bisperoxides". . p. 15469 - 15480. Retrieved 2021/11/16.
• 2、 Greenhalgh, Mark D.,Laina-Martín, Víctor,Neyyappadath, Rifahath M.,Qu, Shen,Smith, Andrew D.,Smith, Samuel M.. "Isothiourea-Catalyzed Acylative Kinetic Resolution of Tertiary α-Hydroxy Esters". supporting information. p. 16572 - 16578. Retrieved 2020/09/09.