3-Aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrate

Base Information

• Chemical Name: 3-Aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrate
• CAS No.: 104308-53-4
• Molecular Formula: C₈H₁₃NO₂
• Molecular Weight: 155.197
• European Community (EC) Number: 635-173-7
• Mol file: 104308-53-4.mol

Synonyms:104308-53-4;3-Aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrate;3-Endo-aminobicyclo[2.2.1]heptane-2-endo-carboxylic acid hydrate;SCHEMBL4497943;3-ENDO-AMINOBICYCLO[2.2.1]HEPTANE-2-ENDO-CARBOXYLICACIDMONOHYDRATE

Chemical Property of 3-Aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: ~275 °C (dec.)
• Refractive Index: 1.4890 (estimate)
• Boiling Point: 303.376°C at 760 mmHg
• Flash Point: 137.277°C
• PSA: 63.32000
• Density: 1.241g/cm³
• LogP: 1.14470
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 173.10519334
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

98%,99%, ^*data from raw suppliers

cis-endo-3-Aminobicyclo[2.2.1]heptane-2-carboxylic acid hydrate ≥97.0% (CHN) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CC1C(C2N)C(=O)O.O

Technology Process of 3-Aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrate

There total 3 articles about 3-Aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrate 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:

2-benzenesulfonyloxy-(3ac,7ac)-hexahydro-4r,7c-methano-isoindole-1,3-dione (14805-28-8,101090-85-1) → di-endo-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid (76198-36-2,88330-32-9,104308-53-4,125109-73-1,202280-02-2,202280-03-3)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/jo01091a035

Reference yield:

N-hydroxy-5-norbornene-endo-2,3-dicarboxamide (68330-42-7) → di-endo-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid (76198-36-2,88330-32-9,104308-53-4,125109-73-1,202280-02-2,202280-03-3)

Guidance literature:

Multi-step reaction with 2 steps

1: chloroform; triethylamine

2: aqueous NaOH

With sodium hydroxide; chloroform; triethylamine;

DOI:10.1021/jo01091a035

Reference yield:

cis-5-norbornene-endo-2,3-dicarboxylic anhydride (17812-27-0,853658-14-7) → di-endo-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid (76198-36-2,88330-32-9,104308-53-4,125109-73-1,202280-02-2,202280-03-3)

Guidance literature:

Multi-step reaction with 3 steps

1: water; hydroxylamine

2: chloroform; triethylamine

3: aqueous NaOH

With sodium hydroxide; chloroform; water; hydroxylamine; triethylamine;

DOI:10.1021/jo01091a035

upstream raw materials:

2-benzenesulfonyloxy-(3ac,7ac)-hexahydro-4r,7c-methano-isoindole-1,3-dione

N-hydroxy-5-norbornene-endo-2,3-dicarboxamide

cis-5-norbornene-endo-2,3-dicarboxylic anhydride

Downstream raw materials:

(1R,2R,3S,4S)-3-(3-p-Tolyl-thioureido)-bicyclo[2.2.1]heptane-2-carboxylic acid

2-(4-Chlorophenyl)-5,8-methano-r-4a,t-5,6,7,t-8,c-8a-hexahydro-4H-3,1-benzoxazine

2-(3-Chlorophenyl)-5,8-methano-r-4a,t-5,6,7,t-8,c-8a-hexahydro-4H-3,1-benzoxazine

2-(4-Tolyl)-5,8-methano-r-4a,t-5,6,7,t-8,c-8a-hexahydro-4H-3,1-benzoxazine