2-Diethylaminomethyl-acrylic acid

Base Information

• Chemical Name: 2-Diethylaminomethyl-acrylic acid
• CAS No.: 27315-98-6
• Molecular Formula: C8H15NO2
• Molecular Weight: 157.213
• European Community (EC) Number: 808-690-2
• DSSTox Substance ID: DTXSID60434064
• Nikkaji Number: J638.151K
• Mol file: 27315-98-6.mol

Synonyms:2-DIETHYLAMINOMETHYL-ACRYLIC ACID;27315-98-6;2-(diethylaminomethyl)prop-2-enoic Acid;2-Diethylaminomethyl acrylic acid;2-((diethylamino)methyl)acrylic acid;2-[(Diethylamino)methyl]acrylic acid;2-(Diethylaminomethyl)acrylic acid;2-DIETHYLAMINOMETHYL-ACRYLICACID;SCHEMBL676069;DTXSID60434064;QVORBTXUFAMNBR-UHFFFAOYSA-N;2-((diethylamino)methyl)acrylicacid;MFCD06658427;AKOS010056233;SB36327;2-[(diethylamino)methyl]prop-2-enoic acid;CS-0340529;2-Diethylaminomethyl-acrylic acid, AldrichCPR;A819010

Chemical Property of 2-Diethylaminomethyl-acrylic acid

Chemical Property:

• PSA: 40.54000
• LogP: 0.96900
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 157.110278721
• Heavy Atom Count: 11
• Complexity: 150

Purity/Quality:

97% ^*data from raw suppliers

2-[(Diethylamino)methyl]acrylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CC(=C)C(=O)O
• Uses: 2-[(Diethylamino)methyl]acrylic Acid is used as a reactant in the preparation of pyrimidine derivatives for inhibiting the growth of cancer cells.

Technology Process of 2-Diethylaminomethyl-acrylic acid

There total 2 articles about 2-Diethylaminomethyl-acrylic 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: 80.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + malonic acid (141-82-2) + diethylamine (109-89-7) → 2-(diethylaminomethyl)acrylic acid (27315-98-6)

Guidance literature:

In 1,4-dioxane; at 70 ℃; for 1h;

DOI:10.1080/00397919508011401

Reference yield: 76.0%

→ 2-(diethylaminomethyl)acrylic acid (27315-98-6)

Guidance literature:

Reference yield: 11.0%

2-(diethylaminomethyl)acrylic acid (27315-98-6) + [3-Chloro-4-(pyridin-2-ylmethoxy)-phenyl]-(5,6,7,8-tetrahydro-9-thia-1,3,7-triaza-fluoren-4-yl)-amine (951035-37-3) → N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-7-{2-[(diethylamino)methyl]acryloyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine (951034-66-5)

Guidance literature:

With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; dichloromethane; at 20 ℃;

upstream raw materials:

formaldehyd

malonic acid

diethylamine

Downstream raw materials:

N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-7-{2-[(diethylamino)methyl]acryloyl}-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine