2-(Carboxymethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Base Information

• Chemical Name: 2-(Carboxymethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
• CAS No.: 51318-98-0
• Molecular Formula: C₁₀H₁₂O₄
• Molecular Weight: 196.203
• NSC Number: 191879
• DSSTox Substance ID: DTXSID50307516
• ChEMBL ID: CHEMBL1888768
• Mol file: 51318-98-0.mol

Synonyms:MLS003106997;51318-98-0;NSC191879;SCHEMBL75380;CHEMBL1888768;DTXSID50307516;YZGFGXBZXHCJPU-UHFFFAOYSA-N;NSC-191879;5-carboxy-5-carboxymethyl-2-norbornene;SMR001821878

Chemical Property of 2-(Carboxymethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 3.16E-08mmHg at 25°C
• Boiling Point: 419.9°C at 760 mmHg
• Flash Point: 221.9°C
• Density: 1.387g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 320

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC(C1C=C2)(CC(=O)O)C(=O)O

Technology Process of 2-(Carboxymethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

There total 11 articles about 2-(Carboxymethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic 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: 54.0%

2-methylenesuccinic acid (97-65-4,25119-64-6) + cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) → 2-(carboxymethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (51318-98-0)

Guidance literature:

In water; isopropyl alcohol; at 25 - 60 ℃; for 8h; Inert atmosphere;

Reference yield:

2-exo-carboxy-5-norbornene-2-endo-acetic acid ethyl ester → 2-exo-Carboxy-5-norbornen-2-endo-essigsaeure (51318-98-0,51492-13-8,51492-16-1)

Guidance literature:

With sodium hydroxide; In ethanol; water;

Reference yield:

2-endo-carboxy-5-norbornene-2-exo-acetic acid ethyl ester → 2-endo-Carboxy-5-norbornen-2-exo-essigsaeure (51318-98-0,51492-13-8,51492-16-1)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

2-methylenesuccinic acid

cyclopenta-1,3-diene

itaconic acid anhydride

(+/-)-(2exo-carboxy-norborn-5-ene-2endo-yl)-acetic acid-anhydride