3-Phenoxypropan-1-ol

Base Information

• Chemical Name: 3-Phenoxypropan-1-ol
• CAS No.: 6180-61-6
• Molecular Formula: C9H12 O2
• Molecular Weight: 152.193
• Hs Code.: 2909499000
• European Community (EC) Number: 228-228-8
• NSC Number: 75459
• UNII: 515PBP1U72
• DSSTox Substance ID: DTXSID60210805
• Nikkaji Number: J211.443G
• Wikidata: Q27260870
• Mol file: 6180-61-6.mol

Synonyms:3-Phenoxy-1-propanol;3-Phenoxypropan-1-ol;6180-61-6;1-Propanol, 3-phenoxy-;3-Phenoxy 1-propanol;UNII-515PBP1U72;515PBP1U72;EINECS 228-228-8;NSC-75459;AI3-17385;3-phenyloxypropanol;3-phenoxypropanol;NSC75459;(3-phenoxy)-propanol;3-phenoxy-propan-1-ol;3-Phenoxy-1-propanol #;PH 4P;SCHEMBL50192;DTXSID60210805;(C3-H6-O)mult-C6-H6-O;MFCD00039549;NSC 75459;AKOS009157245;SB83856;3-PHENOXY 1-PROPANOL [WHO-DD];AS-57768;A8556;AM20040871;CS-0128791;FT-0657638;P2254;A50719;500-061-8 (NLP #);EN300-1864161;J-640274;J-800266;W-105091;Q27260870;28212-40-0

Chemical Property of 3-Phenoxypropan-1-ol

Chemical Property:

• Appearance/Colour: CLEAR COLORLESS LIQUID
• Vapor Pressure: 0.0115mmHg at 25°C
• Refractive Index: 1.528-1.53
• Boiling Point: 83-85 ºC
• PKA: 14.87±0.10(Predicted)
• Flash Point: 105.1oC
• PSA: 29.46000
• Density: 1.04
• LogP: 1.44780
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 87.6

Purity/Quality:

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

3-Phenoxy-1-propanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 24/25-37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OCCCO

Technology Process of 3-Phenoxypropan-1-ol

There total 38 articles about 3-Phenoxypropan-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: 96.0%

bromobenzene (108-86-1,52753-63-6) + trimethyleneglycol (504-63-2) → 3-phenoxypropanol (6180-61-6)

Guidance literature:

With caesium carbonate; copper dichloride; at 130 ℃; for 20h; Reagent/catalyst; Inert atmosphere; Schlenk technique;

DOI:10.1039/c4ob00649f

Reference yield: 95.0%

trimethyleneglycol (504-63-2) + phenol (108-95-2,27073-41-2) → 3-phenoxypropanol (6180-61-6)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 20 ℃;

DOI:10.1021/jo025937s

Reference yield: 92.0%

Phenyl glycidyl ether (122-60-1,71031-02-2) → 3-phenoxypropanol (6180-61-6)

Guidance literature:

With chloroaluminium tetrahydroborate on poly(4-vinylpyridine); In ethanol; for 10h; Heating;

DOI:10.1039/a703327c

upstream raw materials:

trimethylene oxide

phenol

1-chloro-3-hydroxypropane

3-phenoxypropanoic acid

Downstream raw materials:

3-Phenoxy-propyl-trimethylsilylaether

3-fluoropropyl phenyl ether

3-phenoxypropanamine

(E)-bis(3-hydroxypropyl)stilbene 4,4'-diether

Refernces

• 1、 Hudson,R.F.,Loveday,G.. "-". . p. 1068 - 1075. Retrieved 1962.
• 2、 De Vries, Johannes G.,Gandini, Tommaso,Gennari, Cesare,Jiao, Haijun,Pignataro, Luca,Stadler, Bernhard M.,Tadiello, Laura,Tin, Sergey. "Regiodivergent Reductive Opening of Epoxides by Catalytic Hydrogenation Promoted by a (Cyclopentadienone)iron Complex". . p. 235 - 246. Retrieved 2022/01/03.
• 3、 Lambert, Tristan H.,Steiniger, Keri A.. "Primary Alcohols via Nickel Pentacarboxycyclopentadienyl Diamide Catalyzed Hydrosilylation of Terminal Epoxides". supporting information. p. 8013 - 8017. Retrieved 2021/10/25.