4-(2-Morpholinyl)pyrocatechol

Base Information

• Chemical Name: 4-(2-Morpholinyl)pyrocatechol
• CAS No.: 54826-84-5
• Molecular Formula: C10H13NO3
• Molecular Weight: 195.2151
• DSSTox Substance ID: DTXSID60970174
• Nikkaji Number: J185.677D
• ChEMBL ID: CHEMBL7681
• Mol file: 54826-84-5.mol

Synonyms:4-(2-Morpholinyl)pyrocatechol;54826-84-5;1,2-Benzenediol, 4-(2-morpholinyl)-;BRN 0170116;Pyrocatechol, 4-(2-morpholinyl)-;CHEMBL7681;2-(3,4-Dioxyphenyl)tetrahydro-1,4-oxazin [German];4-Morpholin-2-yl-benzene-1,2-diol;2-(3,4-Dioxyphenyl)tetrahydro-1,4-oxazin;4-(MORPHOLIN-2-YL)BENZENE-1,2-DIOL;3,4-Dioxyphenyl-Morpholin;D0S1GH;SCHEMBL17632965;DTXSID60970174;BDBM50000502;PD182280;UK-42620;LS-136459;FT-0713241;EN300-1854801

Chemical Property of 4-(2-Morpholinyl)pyrocatechol

Chemical Property:

• Vapor Pressure: 7.23E-07mmHg at 25°C
• Boiling Point: 396.9°Cat760mmHg
• Flash Point: 193.8°C
• Density: 1.262g/cm³
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 195.08954328
• Heavy Atom Count: 14
• Complexity: 188

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(CN1)C2=CC(=C(C=C2)O)O

Technology Process of 4-(2-Morpholinyl)pyrocatechol

There total 7 articles about 4-(2-Morpholinyl)pyrocatechol 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:

4-Benzhydryl-2-(3,4-bis-benzyloxy-phenyl)-morpholine (100112-52-5) → UK-42620 (54826-84-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; chloroform;

DOI:10.1021/jm00155a025

Reference yield:

3,4-bis(benzyloxy)acetophenone (5878-50-2) → UK-42620 (54826-84-5)

Guidance literature:

Multi-step reaction with 7 steps

1: 40 percent / Br₂ / methanol / 2 h / Heating

2: benzene; ethanol / 0.58 h / 20 - 50 °C

3: LiAlH₄ / diethyl ether / 4 h / Heating

4: 52 percent / Et₃N / CHCl₃ / 4 h / Ambient temperature

5: 58 percent / KOH / ethanol / 30 h / Ambient temperature

6: 35 percent / NaBH₄, BF₃*Et₂O / tetrahydrofuran / 1.5 h / Heating

7: H₂ / 10percent Pd/C / CHCl₃; ethanol

With potassium hydroxide; sodium tetrahydroborate; lithium aluminium tetrahydride; boron trifluoride diethyl etherate; hydrogen; bromine; triethylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; diethyl ether; ethanol; chloroform; benzene;

DOI:10.1021/jm00155a025

Reference yield:

2-bromo-3',4'-bis(benzyloxy)acetophenone (27628-05-3) → UK-42620 (54826-84-5)

Guidance literature:

Multi-step reaction with 6 steps

1: benzene; ethanol / 0.58 h / 20 - 50 °C

2: LiAlH₄ / diethyl ether / 4 h / Heating

3: 52 percent / Et₃N / CHCl₃ / 4 h / Ambient temperature

4: 58 percent / KOH / ethanol / 30 h / Ambient temperature

5: 35 percent / NaBH₄, BF₃*Et₂O / tetrahydrofuran / 1.5 h / Heating

6: H₂ / 10percent Pd/C / CHCl₃; ethanol

With potassium hydroxide; sodium tetrahydroborate; lithium aluminium tetrahydride; boron trifluoride diethyl etherate; hydrogen; triethylamine; palladium on activated charcoal; In tetrahydrofuran; diethyl ether; ethanol; chloroform; benzene;

DOI:10.1021/jm00155a025

upstream raw materials:

4-Benzhydryl-2-(3,4-bis-benzyloxy-phenyl)-morpholine

3,4-bis(benzyloxy)acetophenone

2-bromo-3',4'-bis(benzyloxy)acetophenone

3,4-bis-(benzyloxy)-ω-(benzhydrylamino)acetophenone

Refernces