Methyl 3-Morpholinecarboxylate

Base Information

• Chemical Name: Methyl 3-Morpholinecarboxylate
• CAS No.: 126264-49-1
• Molecular Formula: C6H11NO3
• Molecular Weight: 145.158
• Hs Code.: 2934999090
• European Community (EC) Number: 802-934-1
• DSSTox Substance ID: DTXSID70391073
• Nikkaji Number: J2.042.621G
• Mol file: 126264-49-1.mol

Synonyms:126264-49-1;Methyl Morpholine-3-carboxylate;Methyl 3-Morpholinecarboxylate;3-MORPHOLINECARBOXYLIC ACID METHYL ESTER;3-Morpholinecarboxylic acid, methyl ester;MFCD04038676;morpholine-3-carboxylic acid methyl ester;Methyl3-Morpholinecarboxylate;MFCD06799486;3-Morpholinecarboxylicacid,methylester;methylmorpholine-3-carboxylate;SCHEMBL710459;DTXSID70391073;VVYXIRKYWOEDRA-UHFFFAOYSA-N;BCP28783;CS-D1697;Methyl (R)-3-Morpholinecarboxylate;AKOS006281227;SB11301;SB11304;SB31576;CS-11043;SY003800;SY015551;SY015552;morpholine-3-carboxylic acid, methyl ester;AM20080199;FT-0695092;3-Morpholinecarboxylic acid methyl ester, 97%;EN300-137333;3-morpholinecarboxylic acid methyl ester, AldrichCPR;J-512939

Chemical Property of Methyl 3-Morpholinecarboxylate

Chemical Property:

• Vapor Pressure: 0.295mmHg at 25°C
• Refractive Index: 1.436
• Boiling Point: 202.2 °C at 760 mmHg
• PKA: 6.96±0.40(Predicted)
• Flash Point: 76.1 °C
• PSA: 47.56000
• Density: 1.106 g/cm³
• LogP: -0.52340
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 145.07389321
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

98%min ^*data from raw suppliers

methylmorpholine-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-51

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1COCCN1

Technology Process of Methyl 3-Morpholinecarboxylate

There total 3 articles about Methyl 3-Morpholinecarboxylate 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:

morpholine-3-carboxylic acid hydrochloride (66937-99-3) → methyl 3-morpholine-carboxylate (126264-49-1)

Guidance literature:

With thionyl chloride; In methanol;

Reference yield:

methanol (67-56-1) + morpholine-3-carboxylic acid hydrochloride (66937-99-3) → methyl 3-morpholine-carboxylate (126264-49-1)

Guidance literature:

With thionyl chloride; for 5h; Reflux;

DOI:10.1016/j.tet.2016.12.052

Reference yield:

→ methyl 3-morpholine-carboxylate (126264-49-1)

Guidance literature:

Amin/CO2/Halogenid;

DOI:10.1039/c39780000815

upstream raw materials:

morpholine-3-carboxylic acid hydrochloride

methanol

Downstream raw materials:

4-(2-nitrobenzoyl)morpholine-3-carboxylic acid methyl ester

morpholine-3,4-dicarboxylic acid 4-tert-butyl ester 3-methyl ester

N,N-dimethylmorpholine-3-carboxamide

4-(tert-butoxycarbonyl)morpholine-3-carboxylic acid

Refernces

• 1、 Tereshchenko, Alexander D.,Myronchuk, Julia S.,Leitchenko, Lena D.,Knysh, Irina V.,Tokmakova, Ganna O.,Litsis, Olena O.,Tolmachev, Andrey,Liubchak, Konstantin,Mykhailiuk, Pavel. "Synthesis of 3-oxadiazolyl/triazolyl morpholines: Novel scaffolds for drug discovery". . p. 750 - 757. Retrieved 2017/01/16.