Methyl 4-Morpholinobenzoate

Base Information

• Chemical Name: Methyl 4-Morpholinobenzoate
• CAS No.: 23676-05-3
• Molecular Formula: C12H15 N O3
• Molecular Weight: 221.256
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40409199
• Nikkaji Number: J1.009.876I
• Wikidata: Q82214923
• Mol file: 23676-05-3.mol

Synonyms:Methyl 4-Morpholinobenzoate;23676-05-3;methyl 4-morpholin-4-ylbenzoate;methyl 4-(morpholin-4-yl)benzoate;Benzoic acid, 4-(4-morpholinyl)-, methyl ester;4-(N-Morpholino)-benzene methylcarboxylate;MFCD03012127;Methyl 4-morpholin-4-yl-benzoate;4-morpholinobenzoic acid methyl ester;4-morpholin-4-yl-benzoic acid methyl ester;Methyl4-Morpholinobenzoate;Oprea1_652317;SCHEMBL1063179;DTXSID40409199;MMSNLLYQDUZFFR-UHFFFAOYSA-N;N-(4-Carbomethoxyphenyl)morpholine;AC5694;AKOS015992638;4-(N-Morpholino)benzene methylcarboxylate;AC-23524;SY013334;CS-0187782;FT-0727848;3T-0068;A878165;6-BROMO-3-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLICACID

Chemical Property of Methyl 4-Morpholinobenzoate

Chemical Property:

• Vapor Pressure: 9.98E-06mmHg at 25°C
• Refractive Index: 1.54
• Boiling Point: 371.9°Cat760mmHg
• Flash Point: 178.7°C
• PSA: 38.77000
• Density: 1.16g/cm³
• LogP: 1.37480
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 221.10519334
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

≥99.0% ^*data from raw suppliers

Methyl4-Morpholinobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)N2CCOCC2

Technology Process of Methyl 4-Morpholinobenzoate

There total 16 articles about Methyl 4-Morpholinobenzoate 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: 100.0%

→ 4-morpholin-4-yl-benzoic acid methyl ester (23676-05-3)

Guidance literature:

Reference yield: 98.0%

morpholine (110-91-8,99108-56-2) + Methyl 4-chlorobenzoate (1126-46-1) → 4-morpholin-4-yl-benzoic acid methyl ester (23676-05-3)

Guidance literature:

With caesium carbonate; P(i-BuNCH₂)3CMe; palladium diacetate; In toluene; at 110 ℃; for 24h;

DOI:10.1021/jo034994y

Reference yield: 98.0%

morpholine (110-91-8,99108-56-2) + methyl 4-flurobenzoate (403-33-8) → 4-morpholin-4-yl-benzoic acid methyl ester (23676-05-3)

Guidance literature:

With dipotassium peroxodisulfate; water; silver carbonate; at 120 ℃; for 20h; Sealed tube;

DOI:10.1039/c8ob01749b

upstream raw materials:

morpholine

4-methoxycarbonylphenyl bromide

Methyl 4-chlorobenzoate

methyl 4-[(nonafluorobutanesulfonyl)oxy]benzoate

Downstream raw materials:

4-morpholin-4-yl-benzoic acid

(4-morpholin-4-yl-phenyl)-amide

(4-morpholinophenyl)methanol

4-(4-methylphenyl)morpholine

Refernces

• 1、 Borlinghaus, Niginia,Sch?nfeld, Barbara,Heitz, Stephanie,Klee, Johanna,Vukeli?, Stella,Braje, Wilfried M.,Jolit, Anais. "Enabling Metallophotoredox Catalysis in Parallel Solution-Phase Synthesis Using Disintegrating Reagent Tablets". . p. 16535 - 16547. Retrieved 2021/12/02.
• 2、 Cai, Jiongheng,Chen, Yadong,Chen, Yun,Cheng, Jie,Cheng, Zitian,Heng, Hao,Huang, Fei,Jia, Kun,Li, Hongmei,Lu, Shuai,Lu, Tao,Ren, Jiwei,Sheng, Tiancheng,Song, Shiyu,Tang, Weifang,Wang, Zhijie,Wu, Yingli,Zhu, Yifan. "Discovery of a Potent FLT3 Inhibitor (LT-850-166) with the Capacity of Overcoming a Variety of FLT3 Mutations". . p. 14664 - 14701. Retrieved 2021/10/12.