Dioxaphetyl butyrate

Base Information

• Chemical Name: Dioxaphetyl butyrate
• CAS No.: 467-86-7
• Molecular Formula: C22H27 N O3
• Molecular Weight: 353.461
• European Community (EC) Number: 207-402-7
• UNII: G751H98FY4
• DSSTox Substance ID: DTXSID20196914
• Nikkaji Number: J5.916A
• Wikipedia: Dioxaphetyl_butyrate
• Wikidata: Q5279649
• NCI Thesaurus Code: C65416
• Metabolomics Workbench ID: 146130
• ChEMBL ID: CHEMBL2106284
• Mol file: 467-86-7.mol

Synonyms:Dioxaphetyl butyrate;Spasmoxal;Amidalgon;Spasmoxale;467-86-7;Dioxaphetyli butyras;Diossafetile butirrato;Butirato de dioxafetilo;Butyrate de dioxaphetyl;Acscn-9621;ethyl 4-morpholin-4-yl-2,2-diphenylbutanoate;Butyrate de dioxaphetyl [INN-French];UNII-G751H98FY4;Diossafetile butirrato [DCIT];IDS-ND-015;Dioxaphetyl butyrate [INN:BAN];Dioxaphetyli butyras [INN-Latin];ETHYL 4-MORPHOLINO-2,2-DIPHENYLBUTYRATE;G751H98FY4;EINECS 207-402-7;Butirato de dioxafetilo [INN-Spanish];4-Morpholinebutanoic acid, .alpha.,.alpha.-diphenyl-, ethyl ester;2,2-Diphenyl-4-morpholinobuttersaeureethylester;Ethyl alpha,alpha-diphenyl-4-morpholinebutyrate;Ethyl .alpha.,.alpha.-diphenyl-4-morpholinebutyrate;Dioxaphetylbutyrat;SCHEMBL24240;DEA No. 9621;CHEMBL2106284;Dioxaphetyl butyrate [BAN:INN];DIOXAPHETYL BUTYRATE [MI];DTXSID20196914;CHEBI:135489;DIOXAPHETYL BUTYRATE [INN];DB01475;Ethyl 4-(4-morpholinyl)-2,2-diphenylbutanoate #;Q5279649;4-Morpholinebutanoic acid, alpha,alpha-diphenyl-, ethyl ester;4-Morpholinebutyric acid, alpha,alpha-diphenyl-, ethyl ester;4-Morpholinebutyric acid, .alpha.,.alpha.-diphenyl-, ethyl ester

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of Dioxaphetyl butyrate

Chemical Property:

• Vapor Pressure: 6.56E-10mmHg at 25°C
• Boiling Point: 494.2°Cat760mmHg
• Flash Point: 252.7°C
• PSA: 38.77000
• Density: 1.103g/cm³
• LogP: 3.19600
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 353.19909372
• Heavy Atom Count: 26
• Complexity: 403

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CCN1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of Dioxaphetyl butyrate

There total 5 articles about Dioxaphetyl butyrate 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:

sulfuric acid (7664-93-9) + 4-morpholin-4-yl-2,2-diphenyl-butyronitrile (59882-09-6) → 4-morpholino-2,2-diphenyl-butyric acid ethyl ester (467-86-7)

Guidance literature:

With water; ammonium chloride; at 150 ℃;

Reference yield:

N-(2-chlorethyl)morpholine (3240-94-6) → 4-morpholino-2,2-diphenyl-butyric acid ethyl ester (467-86-7)

Guidance literature:

With benzene;

Reference yield:

Diphenylacetonitrile (86-29-3) → 4-morpholino-2,2-diphenyl-butyric acid ethyl ester (467-86-7)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene; NaNH₂

2: NH₄Cl; H₂O / 150 °C

With water; ammonium chloride; sodium amide; benzene;

upstream raw materials:

sulfuric acid

4-morpholin-4-yl-2,2-diphenyl-butyronitrile

N-(2-chlorethyl)morpholine

4-bromo-2,2-diphenylbutyronitrile

Downstream raw materials:

4-morpholino-2,2-diphenyl-butan-1-ol