(1S,2R,3S,5R)-3-diphenylphosphanyl-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid

Base Information

• Chemical Name: (1S,2R,3S,5R)-3-diphenylphosphanyl-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid
• CAS No.: 172217-23-1
• Molecular Formula: C₂₂H₂₅O₂P
• Molecular Weight: 352.413
• DSSTox Substance ID: DTXSID201124720
• Nikkaji Number: J1.112.295G

Synonyms:DTXSID201124720;172217-23-1;(1S,2R,3S,5R)-3-(Diphenylphosphino)-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid

Chemical Property of (1S,2R,3S,5R)-3-diphenylphosphanyl-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 352.15921703
• Heavy Atom Count: 25
• Complexity: 472

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(C2CC1C(C(C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O)C
• Isomeric SMILES: CC1([C@@H]2C[C@H]1[C@@H]([C@H](C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O)C

Technology Process of (1S,2R,3S,5R)-3-diphenylphosphanyl-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid

There total 1 articles about (1S,2R,3S,5R)-3-diphenylphosphanyl-6,6-dimethylbicyclo[3.1.1]heptane-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:

(1S,2R,3S,5R)-3-Diphenylphosphanyl-6,6-dimethyl-bicyclo[3.1.1]heptane-2-carboxylic acid tert-butyl ester → (1S,2R,3S,5R)-3-Diphenylphosphanyl-6,6-dimethyl-bicyclo[3.1.1]heptane-2-carboxylic acid (172217-23-1)

Guidance literature:

Yield given. Multistep reaction;

Reference yield: 90.0%

borane tetrahydrofuran + (1S,2R,3S,5R)-3-Diphenylphosphanyl-6,6-dimethyl-bicyclo[3.1.1]heptane-2-carboxylic acid (172217-23-1) → C22H28BO2P

Guidance literature:

With sodium hydride; In tetrahydrofuran; addn. of NaH to the acid in THF at 25-degree.C, addn. of BH3*THF at -78°C, addn. of aq. HCl;

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