4-(3-Hydroxypropyl)benzene-1,2-diol

Base Information

• Chemical Name: 4-(3-Hydroxypropyl)benzene-1,2-diol
• CAS No.: 46118-02-9
• Molecular Formula: C9H12O3
• Molecular Weight: 168.192
• DSSTox Substance ID: DTXSID10459000
• Nikkaji Number: J276.048G
• Wikidata: Q82282588
• ChEMBL ID: CHEMBL485747
• Mol file: 46118-02-9.mol

Synonyms:4-(3-hydroxypropyl)benzene-1,2-diol;46118-02-9;1,2-Benzenediol, 4-(3-hydroxypropyl)-;Phenylpropanol impurities;MLS000876967;CHEMBL485747;MEGxp0_000680;SCHEMBL1234932;ACon1_001954;DTXSID10459000;DPTPQXXDBLPEOP-UHFFFAOYSA-N;3,4-Dihydroxybenzene(1-propanol);HMS2269N17;BDBM50448446;3-(3,4-dihydroxyphenyl)-1-propanol;AKOS006288840;NCGC00179968-01;SMR000440647;EN300-1725559

Chemical Property of 4-(3-Hydroxypropyl)benzene-1,2-diol

Chemical Property:

• Vapor Pressure: 2.89E-06mmHg at 25°C
• Boiling Point: 374.3oC at 760 mmHg
• Flash Point: 190.3oC
• PSA: 60.69000
• Density: 1.263g/cm3
• LogP: 1.02270
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 168.078644241
• Heavy Atom Count: 12
• Complexity: 127

Purity/Quality:

98.5% ^*data from raw suppliers

4-(3-HYDROXY-PROPYL)-BENZENE-1,2-DIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CCCO)O)O

Technology Process of 4-(3-Hydroxypropyl)benzene-1,2-diol

There total 12 articles about 4-(3-Hydroxypropyl)benzene-1,2-diol 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%

3-Guaiacylpropanol (2305-13-7) → 3-(3',4'-dihydroxyphenyl)-1-propanol (46118-02-9)

Guidance literature:

With zeolite beta (Zeolyst, CP₈₁₄C); In water; at 250 ℃; for 6h; under 37503.8 Torr; Reagent/catalyst; Sealed tube; Inert atmosphere;

Reference yield: 80.0%

3-(4-hydroxyphenyl)propan-1-ol (10210-17-0) → 3-(3',4'-dihydroxyphenyl)-1-propanol (46118-02-9)

Guidance literature:

3-(4-hydroxyphenyl)propan-1-ol; With carbonic acid dimethyl ester; at 20 ℃; for 1h;

With sodium dithionite; In water; at 20 ℃; for 0.0833333h; chemoselective reaction;

DOI:10.1021/jf301131a

Reference yield: 80.0%

(E)-4-(3-hydroxyprop-1-en-1-yl)benzene-1,2-diol (3598-26-3) → 3-(3',4'-dihydroxyphenyl)-1-propanol (46118-02-9)

Guidance literature:

With ferrous ammonium sulphate hexahydrate; isopropyl β-D-thiogalactopyranoside; In aq. phosphate buffer; at 37 ℃; for 48h;

DOI:10.1002/anie.201403148

upstream raw materials:

dihydrocaffeic acid

1,2-dimethoxy-4-(2-propenyl)benzene

1-allyl-3,4-methylenedioxybenzene

4-allylpyrocatechol

Downstream raw materials:

C₁₈H₂₀O₅

C₁₆H₁₅ClO₃

C₁₆H₁₅NO₅

C₁₉H₂₂O₆

Refernces

• 1、 -. "METHOD FOR THE DEACYLATION AND/OR DEALKYLATION OF COMPOUNDS". Page/Page column 23; 39. . Retrieved 2019/02/15.
• 2、 Sirasani, Gopal,Tong, Liuchuan,Balskus, Emily P.. "A biocompatible alkene hydrogenation merges organic synthesis with microbial metabolism". . p. 7785 - 7788. Retrieved 2014/08/05.