4-Morpholinecarbodithioic acid, 3-(2-hydroxyphenyl)-3-oxopropyl ester

Base Information

• Chemical Name: 4-Morpholinecarbodithioic acid, 3-(2-hydroxyphenyl)-3-oxopropyl ester
• CAS No.: 61998-15-0
• Molecular Formula: C₁₄H₁₇NO₃S₂
• Molecular Weight: 311.426
• DSSTox Substance ID: DTXSID30477206
• Wikidata: Q82309522
• Mol file: 61998-15-0.mol

Synonyms:61998-15-0;4-Morpholinecarbodithioic acid, 3-(2-hydroxyphenyl)-3-oxopropyl ester;SCHEMBL11610702;DTXSID30477206

Chemical Property of 4-Morpholinecarbodithioic acid, 3-(2-hydroxyphenyl)-3-oxopropyl ester

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 311.06498575
• Heavy Atom Count: 20
• Complexity: 345

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C(=S)SCCC(=O)C2=CC=CC=C2O

Technology Process of 4-Morpholinecarbodithioic acid, 3-(2-hydroxyphenyl)-3-oxopropyl ester

There total 2 articles about 4-Morpholinecarbodithioic acid, 3-(2-hydroxyphenyl)-3-oxopropyl ester 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: 23.0%

β-dimethylamino-2-hydroxy-propiophenone hydrochloride (1639-35-6) + morpholinium morpholine-1-carbodithioate (5327-10-6) → S-(3-(2-hydroxyphenyl)-3-oxopropyl) morpholine-4-carbodithioate (61998-15-0)

Guidance literature:

In water; at 20 ℃;

DOI:10.1080/714040961

Reference yield:

→ S-(3-(2-hydroxyphenyl)-3-oxopropyl) morpholine-4-carbodithioate (61998-15-0)

Guidance literature:

RCS2Na, Alkyl.;

upstream raw materials:

β-dimethylamino-2-hydroxy-propiophenone hydrochloride

morpholinium morpholine-1-carbodithioate