4-Fluorooctahydrocyclopenta[c]pyrrole-1-carboxylic acid

Base Information

Chemical Name:4-Fluorooctahydrocyclopenta[c]pyrrole-1-carboxylic acid
CAS No.:783325-91-7
Molecular Formula:C₈H₁₂FNO₂
Molecular Weight:173.187
Hs Code.:
DSSTox Substance ID:DTXSID10473468
Mol file:783325-91-7.mol

Synonyms:783325-91-7;4-Fluorooctahydrocyclopenta[c]pyrrole-1-carboxylic acid;SCHEMBL5696879;DTXSID10473468;Cyclopenta[c]pyrrole-1-carboxylic acid,4-fluorooctahydro-(9ci)

Suppliers and Price of 4-Fluorooctahydrocyclopenta[c]pyrrole-1-carboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of 4-Fluorooctahydrocyclopenta[c]pyrrole-1-carboxylic acid

Chemical Property:

PSA：49.33000
LogP:0.73590
XLogP3:-1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:173.08520679
Heavy Atom Count:12
Complexity:209

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(C2C1C(NC2)C(=O)O)F

Technology Process of 4-Fluorooctahydrocyclopenta[c]pyrrole-1-carboxylic acid

There total 5 articles about 4-Fluorooctahydrocyclopenta[c]pyrrole-1-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: 58.0%

: N-(benzyloxycarbonyl)-3-aza-6-fluoro[3.3.0]octane-2-carboxylic acid

: 783325-91-7
3-aza-6-fluorobicyclo[3.3.0]octane-2-carboxylic acid

Guidance literature:: With palladium 10% on activated carbon; hydrogen; In ethanol; water; for 1.5h; under 1810.07 Torr;
DOI:10.1080/00397911.2010.515354

Reference yield:

: ethyl N-(benzyloxycarbonyl)-3-aza-6-hydroxybicyclo[3.3.0]octane-2-carboxylate

: 783325-91-7
3-aza-6-fluorobicyclo[3.3.0]octane-2-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: diethylamino-sulfur trifluoride / dichloromethane / -5 °C

1.2: 0 °C

2.1: lithium hydroxide monohydrate / tetrahydrofuran; water / 18 h / 20 °C

3.1: palladium 10% on activated carbon; hydrogen / ethanol; water / 1.5 h / 1810.07 Torr

With lithium hydroxide monohydrate; diethylamino-sulfur trifluoride; palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; ethanol; dichloromethane; water;
DOI:10.1080/00397911.2010.515354

Reference yield:

: 158340-62-6
racemic 2-(benzyloxycarbonyl)(1S,3aR,6aS)‐4-(oxo)octahydrocyclopenta[c]pyrrole-1-carboxylic acid ethyl ester

: 783325-91-7
3-aza-6-fluorobicyclo[3.3.0]octane-2-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1.1: sodium tetrahydroborate / tetrahydrofuran; water / 0 - 10 °C

2.1: diethylamino-sulfur trifluoride / dichloromethane / -5 °C

2.2: 0 °C

3.1: lithium hydroxide monohydrate / tetrahydrofuran; water / 18 h / 20 °C

4.1: palladium 10% on activated carbon; hydrogen / ethanol; water / 1.5 h / 1810.07 Torr

With sodium tetrahydroborate; lithium hydroxide monohydrate; diethylamino-sulfur trifluoride; palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; ethanol; dichloromethane; water;
DOI:10.1080/00397911.2010.515354