Threo-1-(4-hydroxy-3-methoxyphenyl)-2-(4-(3-hydroxypropyl)-2-methoxyphenoxy)-1,3-propanediol

Base Information

• Chemical Name: Threo-1-(4-hydroxy-3-methoxyphenyl)-2-(4-(3-hydroxypropyl)-2-methoxyphenoxy)-1,3-propanediol
• CAS No.: 135820-78-9
• Molecular Formula: C₂₀H₂₆O₇
• Molecular Weight: 378.422
• UNII: 3X9Q9XA8J6
• ChEMBL ID: CHEMBL1760591
• Nikkaji Number: J2.175.428E
• Wikidata: Q27138013

Synonyms:3X9Q9XA8J6;135820-78-9;UNII-3X9Q9XA8J6;Threo-1-(4-hydroxy-3-methoxyphenyl)-2-(4-(3-hydroxypropyl)-2-methoxyphenoxy)-1,3-propanediol;CHEBI:69672;(7R,7R)-4,7,9,9'-tetrahydroxy-3,3'-dimethoxy-8-O-4'-neolignan;1,3-Propanediol, 1-(4-hydroxy-3-methoxyphenyl)-2-(4-(3-hydroxypropyl)-2-methoxyphenoxy)-, (1R,2R)-rel-;1,3-Propanediol, 1-(4-hydroxy-3-methoxyphenyl)-2-(4-(3-hydroxypropyl)-2-methoxyphenoxy)-, (R*,R*)-;Threo-guaiacylglycerol-beta-O-4'-dihydroconiferyl alcohol;CHEMBL1760591;SCHEMBL10034077;Q27138013;THREO-GUAIACYLGLYCEROL-.BETA.-O-4'-DIHYDROCONIFERYL ALCOHOL;(1R,2R)-1-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propane-1,3-diol

Chemical Property of Threo-1-(4-hydroxy-3-methoxyphenyl)-2-(4-(3-hydroxypropyl)-2-methoxyphenoxy)-1,3-propanediol

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 378.16785316
• Heavy Atom Count: 27
• Complexity: 408

Purity/Quality:

96% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)CCCO)OC(CO)C(C2=CC(=C(C=C2)O)OC)O
• Isomeric SMILES: COC1=C(C=CC(=C1)CCCO)O[C@H](CO)[C@@H](C2=CC(=C(C=C2)O)OC)O

Technology Process of Threo-1-(4-hydroxy-3-methoxyphenyl)-2-(4-(3-hydroxypropyl)-2-methoxyphenoxy)-1,3-propanediol

There total 6 articles about Threo-1-(4-hydroxy-3-methoxyphenyl)-2-(4-(3-hydroxypropyl)-2-methoxyphenoxy)-1,3-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:

1-(4'-hydroxymethyl-3'-methoxyphenyl)-2-<4''-(3-β-D-glucopyranosyloxypropyl)-2''-methoxyphenoxy>-1,3-propanediol → β-D-glucose (492-61-5) + 1-(4'-hydroxy-3'-methoxyphenyl)-2-<4''-(3-hydroxypropyl)-2''-methoxyphenoxy>-1,3-propanediol (2316-18-9,79171-88-3,97133-59-0,135820-77-8,135820-78-9)

Guidance literature:

With β-glucosidase; water; at 37 ℃; for 24h; Enzymatic reaction;

DOI:10.1021/acs.jafc.9b05605

Reference yield:

erythro-1-(4'-hydroxy-3'-methoxy-phenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]-1,3-propandiol 4'-O-β-D-xylopyranoside → D-Xylose (87-72-9,608-45-7,608-46-8,608-47-9,2460-44-8,6748-95-4,6763-34-4,7261-26-9,7283-06-9,7283-07-0,7296-55-1,7296-56-2,7296-58-4,7296-59-5,7296-60-8,7296-61-9,7296-62-0,7322-30-7,10257-31-5,10257-32-6,10257-33-7,10257-34-8,10257-35-9,19982-83-3,20242-88-0,28697-53-2,36562-42-2,41546-41-2,89299-64-9,107655-34-5,115794-06-4,115794-07-5,130550-15-1,130606-21-2) + 1-(4'-hydroxy-3'-methoxyphenyl)-2-<4''-(3-hydroxypropyl)-2''-methoxyphenoxy>-1,3-propanediol (2316-18-9,79171-88-3,97133-59-0,135820-77-8,135820-78-9)

Guidance literature:

With β-glucosidase; In water; at 37 ℃; for 48h; Enzymatic reaction;

DOI:10.1016/j.tet.2020.131735

Reference yield:

1-(4-hydroxy-3-methoxyphenyl)-2-<4-(3-rhamnopyranoxypropyl)-2-methoxyphenoxy>-1,3-propanediol (threo) (97055-96-4,126253-39-2,126253-40-5) → threo-1-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxyl]-1,3-propanediol (2316-18-9,79171-88-3,97133-59-0,135820-77-8,135820-78-9)

Guidance literature:

With cellulase; In water; at 38 ℃; for 2h; Yield given;

upstream raw materials:

diazomethane

1-(4-hydroxy-3-methoxyphenyl)-2-{4-[(E)-3-hydroxy-1-propenyl]-2-methoxyphenoxy}-1,3-propanediol

1-(4-hydroxy-3-methoxyphenyl)-2-<4-(3-rhamnopyranoxypropyl)-2-methoxyphenoxy>-1,3-propanediol (threo)

(7R,8S)-erythro-7,9,9'-tirhydroxy-3,3'-dimethoxy-8-O-4'-neolignan-4-O-β-D-glucopyranoside

Downstream raw materials:

3-Guaiacylpropanol

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