Benzoic acid morpholin-4-YL ester

Base Information

• Chemical Name: Benzoic acid morpholin-4-YL ester
• CAS No.: 5765-65-1
• Molecular Formula: C11H13NO3
• Molecular Weight: 207.229
• DSSTox Substance ID: DTXSID20460162
• Nikkaji Number: J2.049.305D
• Wikidata: Q82284108
• Mol file: 5765-65-1.mol

Synonyms:5765-65-1;Morpholino benzoate;BENZOIC ACID MORPHOLIN-4-YL ESTER;Morpholin-4-yl Benzoate;Morpholine, 4-(benzoyloxy)-;morpholinobenzoate;4-(Benzoyloxy)morpholine;SCHEMBL226315;DTXSID20460162;MFCD09032166;AKOS015966041;AT25049;BS-48810;CS-0196020

Chemical Property of Benzoic acid morpholin-4-YL ester

Chemical Property:

• Melting Point: 83 °C(Solv: cyclohexane (110-82-7))
• Boiling Point: 314.3±52.0 °C(Predicted)
• PKA: -2.50±0.20(Predicted)
• PSA: 38.77000
• Density: 1.22±0.1 g/cm3(Predicted)
• LogP: 1.02850
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 207.08954328
• Heavy Atom Count: 15
• Complexity: 208

Purity/Quality:

98%Min ^*data from raw suppliers

BenzoicAcidMorpholin-4-ylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1OC(=O)C2=CC=CC=C2
• Uses: Benzoic acid morpholin-4-yl ester is a useful research chemical.

Technology Process of Benzoic acid morpholin-4-YL ester

There total 6 articles about Benzoic acid morpholin-4-YL 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: 90.0%

morpholine (110-91-8,99108-56-2) + dibenzoyl peroxide (94-36-0) → 4-(benzoyloxy)morpholine (5765-65-1)

Guidance literature:

With water; caesium carbonate; In dichloromethane; at 20 ℃; for 16h;

DOI:10.1039/C8SC04996C

Reference yield: 66.0%

morpholine (110-91-8,99108-56-2) + dibenzoyl peroxide (94-36-0) → 4-(benzoyloxy)morpholine (5765-65-1) + 4-benzoylmorpholine (1468-28-6)

Guidance literature:

With disodium hydrogenphosphate; In diethyl ether; for 15h; Heating;

DOI:10.1055/s-1983-30410

Reference yield:

4-hydroxymorpholine (5765-63-9) + benzoyl chloride (98-88-4) → 4-(benzoyloxy)morpholine (5765-65-1)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 0.666667h; Inert atmosphere;

DOI:10.1039/c6cc04638j

upstream raw materials:

morpholine

dibenzoyl peroxide

4-hydroxymorpholine

benzoyl chloride

Downstream raw materials:

tert-butyl benzoylacetate

(4-morpholinyl)acetic acid 1,1-dimethylethyl ester

N,N-diethyl 3-oxo-3-phenylpropanamide

isopropyl 3-oxo-3-(phenyl)propanoate

Refernces

• 1、 Zhao, Shen,Han, Shibo,Du, Guopeng,Zhang, Daopeng,Liu, Hui,Li, Xinjin,Dong, Yunhui,Sun, Feng-Gang. "Acid-Promoted Expeditious Syntheses of Aminated Dibenzosultams via Palladium/Norbornene Cooperatively Catalysed C?H Amination/Arylation". supporting information. p. 2078 - 2083. Retrieved 2021/03/01.
• 2、 An, Yang,Ding, Ya-Nan,Gou, Xue-Ya,Li, Qiao,Li, Yuke,Liang, Yong-Min,Zhang, Xiao-Yan,Zhang, Zhe. "Palladium-Catalyzed C-H Amination/[2 + 3] or [2 + 4] Cyclization via C(sp3or sp2)-H Activation". supporting information. p. 7961 - 7965. Retrieved 2021/10/25.