(1S,2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)cyclohexanecarboxylic acid

Base Information

• Chemical Name: (1S,2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)cyclohexanecarboxylic acid
• CAS No.: 312965-07-4
• Molecular Formula: C22H23 N O4
• Molecular Weight: 365.429
• Hs Code.: 29225090
• DSSTox Substance ID: DTXSID80361181
• Wikidata: Q72477817
• Mol file: 312965-07-4.mol

Synonyms:312965-07-4;(1S,2S)-FMOC-2-AMINOCYCLOHEXANE CARBOXYLIC ACID;(1S,2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)cyclohexanecarboxylic acid;Fmoc-(1S,2S)-2-aminocyclohexane carboxylic acid;(1S,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid;(1S,2S)-2-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)cyclohexane-1-carboxylic acid;(1S,2S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)cyclohexane-1-carboxylic acid;Fmoc-(1S,2S)-Achc-OH;SCHEMBL2384012;DTXSID80361181;MFCD05663771;AS-82103;CS-0207684;D85977;EN300-7361318;A875967;J-018371;(1S,2S)-Fmoc-2-aminocyclohexane carboxylic acid, AldrichCPR;(1S,2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)cyclohexanecarboxylicacid;(1s,2s)-2-{[(9h-fluoren-9-ylmethoxy)carbonyl]amino}cyclohexane-carboxylic acid

Chemical Property of (1S,2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)cyclohexanecarboxylic acid

Chemical Property:

• Boiling Point: 596.9±39.0 °C(Predicted)
• PKA: 4.87±0.28(Predicted)
• PSA: 75.63000
• Density: 1.29±0.1 g/cm3(Predicted)
• LogP: 4.55940
• Storage Temp.: Store at?0-5°C
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 365.16270821
• Heavy Atom Count: 27
• Complexity: 528

Purity/Quality:

97% ^*data from raw suppliers

(1S,2S)-Fmoc-2-aminocyclohexaneCarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C(C1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• Isomeric SMILES: C1CC[C@@H]([C@H](C1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Technology Process of (1S,2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)cyclohexanecarboxylic acid

There total 10 articles about (1S,2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)cyclohexanecarboxylic 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: 81.0%

N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide (82911-69-1) + (1S,2S)-(+)-2-aminocyclohexane-1-carboxylic acid hydrochloride (158414-45-0) → (S,S)-trans-N-(9-fluorenylmethoxycarbonyl)-2-aminocyclohexanecarboxylic acid (312965-07-4)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water;

DOI:10.1002/1099-0690(200209)2002:17<2948::AID-EJOC2948>3.0.CO;2-E

Reference yield:

(1S,2S)-cyclohexane-1,2-dicarboxylic acid (610-10-6,1687-30-5,2305-32-0,21963-41-7,46022-05-3,610-09-3) → (S,S)-trans-N-(9-fluorenylmethoxycarbonyl)-2-aminocyclohexanecarboxylic acid (312965-07-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: acetyl chloride / Heating

1.2: NH₃ gas / CH₂Cl₂ / 20 °C

1.3: 74 percent / phenyliodine(III) trifluoroacetate / acetonitrile; H₂O / 20 °C

2.1: 81 percent / sodium hydroxide / tetrahydrofuran; H₂O

With sodium hydroxide; acetyl chloride; In tetrahydrofuran; water;

DOI:10.1002/1099-0690(200209)2002:17<2948::AID-EJOC2948>3.0.CO;2-E

Reference yield:

2-(S-1-phenylethylamino)-cyclohex-1-enecarboxylic acid ethyl ester (53898-03-6) → (S,S)-trans-N-(9-fluorenylmethoxycarbonyl)-2-aminocyclohexanecarboxylic acid (312965-07-4)

Guidance literature:

Multi-step reaction with 6 steps

1.1: NaBH₄; isobutyric acid / toluene / 3 h / 0 °C

1.2: HBr / ethyl acetate; propionic acid / 0 °C

1.3: aq. NaHCO₃

2.1: Na / ethanol / 15 h / 80 °C

3.1: HCl / ethyl acetate; dioxane / 0 - 20 °C

4.1: LiOH*H₂O / tetrahydrofuran; ethanol; H₂O / 36 h / 0 °C

5.1: HCO₂NH₄ / Pd/C / methanol / 2 h / Heating

6.1: NaHCO₃ / acetone; H₂O / 0 - 20 °C

With hydrogenchloride; lithium hydroxide; sodium tetrahydroborate; ammonium formate; sodium; sodium hydrogencarbonate; isobutyric Acid; palladium on activated charcoal; In tetrahydrofuran; 1,4-dioxane; methanol; ethanol; water; ethyl acetate; acetone; toluene;

DOI:10.1002/ejoc.200390112

upstream raw materials:

N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide

(1S,2S)-(+)-2-aminocyclohexane-1-carboxylic acid hydrochloride

rac-trans-2-aminocyclohexanecarboxylic acid

2-(S-1-phenylethylamino)-cyclohex-1-enecarboxylic acid ethyl ester

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