3-(4-Methoxyphenoxy)propane-1,2-diol

Base Information

• Chemical Name: 3-(4-Methoxyphenoxy)propane-1,2-diol
• CAS No.: 17131-52-1
• Molecular Formula: C10H14 O4
• Molecular Weight: 198.219
• Hs Code.: 2909499000
• European Community (EC) Number: 241-192-8
• NSC Number: 113106
• UNII: GTC7XJF9VR
• DSSTox Substance ID: DTXSID301290546
• Nikkaji Number: J50.856J
• Mol file: 17131-52-1.mol

Synonyms:17131-52-1;3-(4-Methoxyphenoxy)propane-1,2-diol;3-(4-Methoxyphenoxy)-1,2-propanediol;3-(p-Methoxyphenoxy)-1,2-propanediol;1,2-PROPANEDIOL, 3-(p-METHOXYPHENOXY)-;GTC7XJF9VR;EINECS 241-192-8;NSC 113106;BRN 2099432;NSC-113106;NSC113106;1,2-Propanediol, 3-(4-methoxyphenoxy)-;UNII-GTC7XJF9VR;Oprea1_711248;WLN: Q1YQ1OR DO1;1, 3-(p-methoxyphenoxy)-;SCHEMBL1496759;DTXSID301290546;Glycerol 1-(p-methoxyphenyl) ether;AKOS015912967;3-(4-Methoxy-phenoxy)-propane-1,2-diol;LS-120553;FT-0637502;3-(4-Methoxyphenoxy)-1,2-propanediol, >=98%;3-(4-Methoxyphenoxy)-1,2-propanediol,98 +%;RAC-3-(4-METHOXYPHENOXY)PROPANE-1,2-DIOL;3-(4'-METHOXYPHENOXY)-1,2-DIHYDROXYPROPANE

Chemical Property of 3-(4-Methoxyphenoxy)propane-1,2-diol

Chemical Property:

• Vapor Pressure: 1.75E-06mmHg at 25°C
• Melting Point: 76-80 °C(lit.)
• Boiling Point: 380.9°Cat760mmHg
• PKA: 13.40±0.20(Predicted)
• Flash Point: 184.2°C
• PSA: 58.92000
• Density: 1.195g/cm³
• LogP: 0.42720
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 198.08920892
• Heavy Atom Count: 14
• Complexity: 143

Purity/Quality:

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

3-(4-METHOXYPHENOXY)-1,2-PROPANEDIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-27-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)OCC(CO)O

Technology Process of 3-(4-Methoxyphenoxy)propane-1,2-diol

There total 56 articles about 3-(4-Methoxyphenoxy)propane-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%

4-Methoxyphenyl (2,2-dimethyl-1,3-dioxolan-4-yl)-methyl ether → 3-(4-methoxyphenoxy)-1,2-propanediol (17131-52-1)

Guidance literature:

Reference yield: 95.0%

4-methoxy-phenol (150-76-5) + 3-monochloro-1,2-propanediol (96-24-2) → 3-(4-methoxyphenoxy)-1,2-propanediol (17131-52-1)

Guidance literature:

4-methoxy-phenol; With sodium hydroxide; In ethanol; water; for 0.166667h; Reflux;

3-monochloro-1,2-propanediol; In ethanol; water; Reflux;

DOI:10.1021/ja303320x

Reference yield: 95.0%

(R)-1,2-O-isopropylidene-3-O-(4-methoxyphenyl)glycerol (130998-32-2) → (R)-3-(p-methoxyphenoxy)-1,2-propanediol (17131-52-1,124933-35-3,131064-88-5,131064-87-4)

Guidance literature:

With Amberlyst-15; In methanol; at 20 ℃; for 70h;

DOI:10.1021/jm5020082

upstream raw materials:

2,3-epoxypropyl p-methoxyphenyl ether

methyl N-hydroxycarbamate

4-methoxy-phenol

3-monochloro-1,2-propanediol

Downstream raw materials:

5-(4-methoxy-phenoxymethyl)-oxazolidin-2-one

Acetic acid (R)-1-acetoxymethyl-2-(4-methoxy-phenoxy)-ethyl ester

Acetic acid (S)-2-hydroxy-3-(4-methoxy-phenoxy)-propyl ester

(R)-Acetoxy-3-(4-methoxyphenyl)-2-propanol

Refernces

• 1、 Tak, Rajkumar,Kumar, Manish,Menapara, Tusharkumar,Gupta, Naveen,Kureshy, Rukhsana I.,Khan, Noor-ul H.,Suresh. "Asymmetric Hydrolytic and Aminolytic Kinetic Resolution of Racemic Epoxides using Recyclable Macrocyclic Chiral Cobalt(III) Salen Complexes". supporting information. p. 3990 - 4001. Retrieved 2017/11/22.
• 2、 Ikubo, Masaya,Inoue, Asuka,Nakamura, Sho,Jung, Sejin,Sayama, Misa,Otani, Yuko,Uwamizu, Akiharu,Suzuki, Keisuke,Kishi, Takayuki,Shuto, Akira,Ishiguro, Jun,Okudaira, Michiyo,Kano, Kuniyuki,Makide, Kumiko,Aoki, Junken,Ohwada, Tomohiko. "Structure-activity relationships of lysophosphatidylserine analogs as agonists of G-protein-coupled receptors GPR34, P2Y10, and GPR174". supporting information. p. 4204 - 4219. Retrieved 2015/06/08.