4-((Tert-butoxycarbonyl)amino)cyclopent-2-ene-1-carboxylic acid

Base Information

• Chemical Name: 4-((Tert-butoxycarbonyl)amino)cyclopent-2-ene-1-carboxylic acid
• CAS No.: 108999-93-5
• Molecular Formula: C₁₁H₁₇NO₄
• Molecular Weight: 227.26
• DSSTox Substance ID: DTXSID40910952
• Mol file: 108999-93-5.mol

Synonyms:108999-93-5;216481-87-7;4-((TERT-BUTOXYCARBONYL)AMINO)CYCLOPENT-2-ENE-1-CARBOXYLIC ACID;MFCD00211287;MFCD12405610;4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylic Acid;SCHEMBL605148;(1S,4R)-4-tert-Butoxycarbonylamino-cyclopent-2-enecarboxylic acid;(1R,4R)-4-{[(tert-butoxy)carbonyl]amino}cyclopent-2-ene-1-carboxylic acid;DTXSID40910952;WOUNTSATDZJBLP-UHFFFAOYSA-N;AKOS026739888;AM84477;SB18485;SB30605;SB33816;SB33817;s11408;SY009744;SY097478;A1479;CS-0291179;FT-0653266;FT-0656239;FT-0656901;FT-0658553;EN300-97615;4t-Butoxycarbonylaminocyclopent-2-enecarboxylic acid;cis-4-tert-Boc-amino-cyclopent-2-enecarboxylic acid;(1S,4R)-4-(Boc-amino)-2-cyclopentenecarboxylic Acid;(1S,4R)-N-BOC-4-Aminocyclopent-2-enecarboxylic acid;4-t-butoxycarbonylaminocyclopent-2-enecarboxylic acid;(1R,4S)-N-Boc-1-aminocyclopent-2-ene-4-carboxylicacid;(1R,4S)-4-tert-Boc-amino-cyclopent-2-enecarboxylic acid;(1S,4R)-4-(tert-butoxycarbonyl)cyclopent-2-enecarboxylic acid;4-{[(tert-butoxy)carbonyl]amino}cyclopent-2-ene-1-carboxylic acid;(1S,4S)-4-((tert-butoxycarbonyl)amino)cyclopent-2-ene-1-carboxylic acid;4-((TERT-BUTOXYCARBONYL)AMINO)CYCLOPENT-2-ENE-1-CARBOXYLICACID;4-{[tert-Butoxy(hydroxy)methylidene]amino}cyclopent-2-ene-1-carboxylic acid

Chemical Property of 4-((Tert-butoxycarbonyl)amino)cyclopent-2-ene-1-carboxylic acid

Chemical Property:

• Vapor Pressure: 6.65E-07mmHg at 25°C
• Melting Point: 152 °C
• Refractive Index: 1.514
• Boiling Point: 382.284 °C at 760 mmHg
• PKA: 4.31±0.40(Predicted)
• Flash Point: 184.999 °C
• PSA: 75.63000
• Density: 1.181 g/cm³
• LogP: 1.93130
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 227.11575802
• Heavy Atom Count: 16
• Complexity: 316

Purity/Quality:

98% ^*data from raw suppliers

(+)-(1S,4R)-N-Boc-1-Aminocyclopent-2-ene-4-carboxylicacid 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1CC(C=C1)C(=O)O

Technology Process of 4-((Tert-butoxycarbonyl)amino)cyclopent-2-ene-1-carboxylic acid

There total 50 articles about 4-((Tert-butoxycarbonyl)amino)cyclopent-2-ene-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: 44.0%

(±)-tert-butyl 3-oxo-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate → (-)-[(1R,4S)-tert-butyl 3-oxo-2-azabicyclo(2.2.1)hept-5-ene-2-carboxylate] (200002-41-1) + (1S-cis)-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-cyclopentene-1-carboxylic acid (151907-79-8,108999-93-5)

Guidance literature:

With lipase B from Candida antarctica; In water; isopropyl alcohol; at 30 ℃; for 18h; stereospecific reaction; Enzymatic reaction;

DOI:10.1002/ejoc.200800723

Reference yield: 22.0%

→ (1S-cis)-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-cyclopentene-1-carboxylic acid (151907-79-8,108999-93-5) + (1S,4R)-(-)-methyl-[[(1,1-dimethylethoxy)carbonyl]amino]cyclopent-2-ene-1-carboxylate (168683-02-1) + (1R,4R)-4-[(tert-butoxycarbonyl)amino]cyclopent-2-ene-1-carboxylic acid (298716-03-7,108999-93-5)

Guidance literature:

With lipase type VII; In phosphate buffer; at 26 ℃; for 24h; pH=7;

DOI:10.1016/j.tet.2003.10.116

Reference yield: 22.0%

→ (1S-cis)-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-cyclopentene-1-carboxylic acid (151907-79-8,108999-93-5) + (1S,4R)-(-)-methyl-[[(1,1-dimethylethoxy)carbonyl]amino]cyclopent-2-ene-1-carboxylate (168683-02-1) + (1R,4R)-4-[(tert-butoxycarbonyl)amino]cyclopent-2-ene-1-carboxylic acid (298716-03-7,108999-93-5)

Guidance literature:

With lipase type VII; In phosphate buffer; at 26 ℃; for 24h; pH=7;

DOI:10.1016/j.tet.2003.10.116

upstream raw materials:

di-tert-butyl dicarbonate

(1R,4S)-4-aminocyclopenten-2-ene-1-carboxylic acid

(1S,4R)-2-azabicyclo[2,2,1]hept-5-en-3-one

2-azabicyclo[2.2.1.]hept-5-en-3-one

Downstream raw materials:

(1R,4S)-N-tert-butoxycarbonyl-4-aminocyclopent-2-ene-1-carboxylic acid methyl ester

C₁₈H₂₃NO₃

benzyl (1S,3R)-3-[(diphenylmethylene)amino]cyclopentanecarboxylate

C₂₁H₃₁NO₃

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