Desvenlafaxine Fumarate

Base Information

• Chemical Name: Desvenlafaxine Fumarate
• CAS No.: 93414-04-1
• Deprecated CAS: 130198-08-2
• Molecular Formula: C₄H₄O₄*C₁₆H₂₅NO₂
• Molecular Weight: 379.453
• Hs Code.: 2922504500
• UNII: ATX24E9M6L
• DSSTox Substance ID: DTXSID901027852
• Wikidata: Q27274120
• Mol file: 93414-04-1.mol

Synonyms:Desvenlafaxine fumarate;O-Desmethylvenlafaxine fumarate;93414-04-1;UNII-ATX24E9M6L;ATX24E9M6L;Phenol, 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)-, (2E)-2-butenedioate (1:1) (salt);Phenol, 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)-, (E)-2-butenedioate (1:1) (salt);(E)-but-2-enedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;DESVENLAFAXINE FUMARATE (USP-RS);DESVENLAFAXINE FUMARATE [USP-RS];PHENOL, 4-(2-(DIMETHYLAMINO)-1-(1-HYDROXYCYCLOHEXYL)ETHYL)-, (2Z)-2-BUTENEDIOATE (1:1);DESVENLAFAXINE FUMARATE (USP MONOGRAPH);DESVENLAFAXINE FUMARATE [USP MONOGRAPH];SCHEMBL521350;SCHEMBL3400998;SQTJDJZCPOSWSC-WLHGVMLRSA-N;DTXSID901027852;AKOS040758467;DESVENLAFAXINE FUMARATE [WHO-DD];PD051387;DESVENLAFAXINE FUMARATE [ORANGE BOOK];DESVENLAFAXINE FUMARATE ANHYDROUS [MI];Q27274120

Chemical Property of Desvenlafaxine Fumarate

Chemical Property:

• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 379.19948764
• Heavy Atom Count: 27
• Complexity: 385

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(=C/C(=O)O)\C(=O)O

Technology Process of Desvenlafaxine Fumarate

There total 2 articles about Desvenlafaxine Fumarate 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: 97.0%

O-desmethylvenlafaxine (93413-62-8) + (2E)-but-2-enedioic acid (110-17-8,26099-09-2) → (+/-)-1-[2-dimethylamino-1-(4-hydroxyphenyl)-ethyl]-cyclohexanol fumarate (93414-04-1)

Guidance literature:

In methanol; water; at 60 ℃; for 1h;

Reference yield: 78.7%

O-desvenlafaxine hydrochloride (300827-87-6) + (2E)-but-2-enedioic acid (110-17-8,26099-09-2) → (+/-)-1-[2-dimethylamino-1-(4-hydroxyphenyl)-ethyl]-cyclohexanol fumarate (93414-04-1)

Guidance literature:

O-desvenlafaxine hydrochloride; (2E)-but-2-enedioic acid; With sodium hydroxide; In water;

With hydrogenchloride; In water; pH=3.7;

upstream raw materials:

O-desmethylvenlafaxine

(2E)-but-2-enedioic acid

O-desvenlafaxine hydrochloride

Refernces

• 1、 -. "A METHOD OF PREPARATION OF DESVENLAFAXINE AND ITS SALTS". Page/Page column 8. . Retrieved 2010/06/17.
• 2、 -. "CRYSTAL FORMS OF O-DESMETHYLVENLAFAXINE FUMARATE". Page/Page column 12. . Retrieved 2009/07/03.