Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid

Base Information

• Chemical Name: Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid
• CAS No.: 56842-95-6
• Molecular Formula: C7H8O4
• Molecular Weight: 156.14
• Hs Code.: 2917200090
• European Community (EC) Number: 867-488-2
• Nikkaji Number: J926.432I
• Mol file: 56842-95-6.mol

Synonyms:BICYCLO[1.1.1]PENTANE-1,3-DICARBOXYLIC ACID;56842-95-6;1,3-Bicyclo[1.1.1]pentanedicarboxylic acid;MFCD20621127;trans-Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid;starbld0025564;1,1'-Bicyclo[1,1,1]pentane-1,3-dicarboxylic acid;SCHEMBL9142496;AMY32623;AKOS024255977;AKOS027469909;CS-W000132;GS-8006;PB36105;SB10647;SY097083;FT-0775275;EN300-90587;EN300-7710861;A856189

Chemical Property of Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid

Chemical Property:

• Melting Point: 260 °C (sublm)
• Boiling Point: 205.3±20.0 °C(Predicted)
• PKA: 4.23±0.40(Predicted)
• PSA: 74.60000
• Density: 1.864±0.06 g/cm3(Predicted)
• LogP: 0.32590
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 156.04225873
• Heavy Atom Count: 11
• Complexity: 203

Purity/Quality:

97% ^*data from raw suppliers

Bicyclo[1.1.1]pentane-1,3-dicarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2(CC1(C2)C(=O)O)C(=O)O
• Uses: Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acid is a starting material for polymers. A useful reagent for click chemistry and biological studies.

Technology Process of Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid

There total 24 articles about Bicyclo[1.1.1]pentane-1,3-dicarboxylic 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: 94.5%

dimethyl bicyclo<1.1.1>pentane-1,3-dicarboxylate (115913-32-1) → bicyclo<1.1.1>pentane-1,3-dicarboxylic acid (56842-95-6)

Guidance literature:

With water; bromine; sodium hydroxide; In 1,4-dioxane; at 0 - 20 ℃;

DOI:10.15227/orgsyn.077.0249

Reference yield: 90.0%

1,1′-(bicyclo[1.1.1]pentane-1,3-diyl)bis(ethan-1-one) (115913-30-9) → bicyclo<1.1.1>pentane-1,3-dicarboxylic acid (56842-95-6)

Guidance literature:

With sodium hypobromide; water; In 1,4-dioxane; at 0 - 50 ℃; for 4h;

DOI:10.1021/jo00254a038

Reference yield: 68.0%

3‐(methoxycarbonyl)bicyclo[1.1.1]pentane‐1‐carboxylic acid (83249-10-9) → bicyclo<1.1.1>pentane-1,3-dicarboxylic acid (56842-95-6)

Guidance literature:

With sodium hydroxide; In water; for 1.5h; Heating;

DOI:10.1021/jo00146a031

upstream raw materials:

2,2-Dichloro-bicyclo[1.1.1]pentane-1,3-dicarboxylic acid monomethyl ester

carbon dioxide

[1.1.1]propellane

1-(1-hydroxyethyl)-3-(1-oxoethyl)bicyclo<1.1.1>pentane

Downstream raw materials:

dimethyl bicyclo<1.1.1>pentane-1,3-dicarboxylate

3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carbonitrile

(R)-2-{4-chloro-N-[(3-cyanobicyclo[1.1.1]pentan-1-yl)methyl]phenylsulfonamide}-5,5,5-trifluoropentanamide

(R)-2-{N-{[3-(1,2,4-oxadiazol-3-yl)bicyclo[1.1.1]pentan-1-yl]-methyl}-4-chlorophenylsulfonamido}-5,5,5-trifluoropentanamide