3-(Ethoxycarbonyl)bicyclo[2.2.1]heptan-2-aminium

Base Information

• Chemical Name: 3-(Ethoxycarbonyl)bicyclo[2.2.1]heptan-2-aminium
• CAS No.: 95630-76-5
• Molecular Formula: C₁₀H₁₇NO₂*ClH
• Molecular Weight: 219.711
• Hs Code.: 29224985
• DSSTox Substance ID: DTXSID70914903
• Mol file: 95630-76-5.mol

Synonyms:DTXSID70914903;3-(Ethoxycarbonyl)bicyclo[2.2.1]heptan-2-aminium

Chemical Property of 3-(Ethoxycarbonyl)bicyclo[2.2.1]heptan-2-aminium

Chemical Property:

• Vapor Pressure: 0.018mmHg at 25°C
• Melting Point: 187-188 °C
• Boiling Point: 254.148°C at 760 mmHg
• Flash Point: 117.609°C
• PSA: 52.32000
• LogP: 2.42520
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 184.133753817
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

98%Min ^*data from raw suppliers

DIENDO-3-AMINO-BICYCLO(2.2.1)HEPTANE-2-CARBOXYLIC ACID ETHYL ESTER HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1C2CCC(C2)C1[NH3+]
• Isomeric SMILES: CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+]

Technology Process of 3-(Ethoxycarbonyl)bicyclo[2.2.1]heptan-2-aminium

There total 8 articles about 3-(Ethoxycarbonyl)bicyclo[2.2.1]heptan-2-aminium 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: 95.0%

ethyl 2-endo-aminobicyclo<2.2.1>hept-5-ene-1-endo-carboxylate hydrochloride (95630-74-3,1242864-18-1) → ethyl 2-endo-aminobicyclo<2.2.1>heptane-1-endo-carboxylate hydrochloride (95630-76-5)

Guidance literature:

With hydrogen; platinum on activated charcoal; In ethanol; for 6h; Ambient temperature;

Reference yield: 90.0%

Ethyl 3-endo-Aminobicyclo<2.2.1>hept-5-ene-2-endo-carboxylate Hydrochloride (95630-74-3,104770-18-5,1242864-18-1) → Ethyl 3-endo-Aminobicyclo<2.2.1>heptane-2-endo-carboxylate Hydrochloride (95630-75-4,95630-76-5)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethanol; for 6h; under 760 Torr; Ambient temperature;

Reference yield: 62.0%

ethanol (64-17-5) + 3-exo-Aminobicyclo<2.2.1>heptane-2-exo-carboxylic Acid (76198-36-2,88330-32-9,104308-53-4,125109-73-1,202280-02-2,202280-03-3) → Ethyl 3-endo-Aminobicyclo<2.2.1>heptane-2-endo-carboxylate Hydrochloride (95630-75-4,95630-76-5)

Guidance literature:

With thionyl chloride; 1.) -10 deg C - room temp., 3.5 h 2.) reflux, 1 h;

upstream raw materials:

ethanol

3-exo-Aminobicyclo<2.2.1>heptane-2-exo-carboxylic Acid

Ethyl 3-endo-Aminobicyclo<2.2.1>hept-5-ene-2-endo-carboxylate Hydrochloride

3-endo-Aminobicyclo<2.2.1>hept-5-ene-2-endo-carboxylic Acid

Downstream raw materials:

Ethyl 3-endo-Aminobicyclo<2.2.1>heptane-2-endo-carboxylate

(1S,2R,3S,4R)-3-(4-fluoro-benzylamino)-bicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester

(1R,2S,7R,8S)-5-(-7-amino-1-methyl-1-oxo-1λ⁶benzo[1,2,4]thiadiazin-3-yl)-3-(4-fluoro-benzyl)-6-hydroxy-3-aza-tricyclo[6.2.1.0^2,7]undec-5-en-4-one

(1R,2S,7R,8S)-3-(4-fluoro-benzyl)-6-hydroxy-5-(1-methyl-7-nitro-1-oxo-1λ⁶-benzo[1,2,4]thiadiazin-3-yl)-3-aza-tricyclo[6.2.1.0^2,7]undec-5-en-4-one