Morpholin-3-yl-acetic acid

Base Information

• Chemical Name: Morpholin-3-yl-acetic acid
• CAS No.: 86236-84-2
• Molecular Formula: C₆H₁₁NO₃
• Molecular Weight: 145.158
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20465339
• Mol file: 86236-84-2.mol

Synonyms:Morpholin-3-yl-acetic acid;86236-84-2;2-(morpholin-3-yl)acetic acid;2-morpholin-3-ylacetic Acid;Morpholin-3-yl-aceticacid;MORPHOLIN-3-YLACETIC ACID;SCHEMBL2551365;DTXSID20465339;MFCD03426090;AKOS006339148;MB69353;MB69354;PB27599;BB 0260761;CS-0053972;FT-0687444;FT-0687445;FT-0689630;EN300-72182

Chemical Property of Morpholin-3-yl-acetic acid

Chemical Property:

• Vapor Pressure: 9.87E-05mmHg at 25°C
• Refractive Index: 1.457
• Boiling Point: 314.7 °C at 760 mmHg
• PKA: 3.86±0.10(Predicted)
• Flash Point: 144.1 °C
• PSA: 58.56000
• Density: 1.154 g/cm³
• LogP: -0.22170
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -3.3
• Hydrogen Bond Donor Count: 2
• 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

2-(Morpholin-3-yl)aceticacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCC(N1)CC(=O)O

Technology Process of Morpholin-3-yl-acetic acid

There total 3 articles about Morpholin-3-yl-acetic acid 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: 26.0%

malonic acid (141-82-2) + dodecahydrotris([1,4]oxazino)[4,3-a:4',3'-c:4'',3''-e][1,3,5]triazine (81684-86-8) → 2-(morpholin-3-yl)acetic acid (86236-84-2,1257848-43-3,1257856-13-5)

Guidance literature:

With triethylamine; In acetonitrile; at 55 - 60 ℃; for 7h;

Reference yield:

(4-formyl-morpholin-3-yl)-acetic acid (813433-72-6) → 2-(morpholin-3-yl)acetic acid (86236-84-2,1257848-43-3,1257856-13-5)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; for 3h; Heating;

DOI:10.1016/j.tetasy.2004.09.022

Reference yield:

ethyl 2-(morpholin-3-yl)acetate (81684-84-6) → 2-(morpholin-3-yl)acetic acid (86236-84-2,1257848-43-3,1257856-13-5)

Guidance literature:

With Novozym 435(R); for 6h; pH=7;

DOI:10.1016/j.tetasy.2004.09.022

upstream raw materials:

malonic acid

dodecahydrotris([1,4]oxazino)[4,3-a:4',3'-c:4'',3''-e][1,3,5]triazine

ethyl 2-(morpholin-3-yl)acetate

(4-formyl-morpholin-3-yl)-acetic acid

Downstream raw materials:

2-(4-((6-(2-bromo-4-fluorophenyl)-5-(ethoxycarbonyl)-2-(thiazol-2-yl)-3,6-dihydropyrimidin-4-yl)methyl)morpholin-3-yl)acetic acid

(3S)-4-tert-butoxycarbonyl-3-carbethoxymethylmorpholine

(3R)-4-tert-butoxycarbonyl-3-carboxymethylmorpholine

(5S)-N-tert-butoxycarbonyl-5-(2-hydroxyethyl)morpholine

Refernces

• 1、 Fukawa, Hidemichi,Terao, Yoshiyasu,Achiwa, Kazuo,Sehiya, Minoru. "Decarboxylation Reaction. X. Introduction of a Carbon unit at the α-Position of Amines by Reaction of Hexahydro-1,3,5-triazines with Carboxylic Acids". . p. 94 - 99. Retrieved 2007/10/02.