1-({[(9H-Fluoren-9-yl)methoxy](hydroxy)methylidene}amino)-4-oxocyclohexane-1-carboxylate

Base Information

• Chemical Name: 1-({[(9H-Fluoren-9-yl)methoxy](hydroxy)methylidene}amino)-4-oxocyclohexane-1-carboxylate
• CAS No.: 285996-74-9
• Molecular Formula: C22H21 N O5
• Molecular Weight: 379.412
• Hs Code.: 29225090
• DSSTox Substance ID: DTXSID80951263
• Wikidata: Q82929520
• Mol file: 285996-74-9.mol

Synonyms:DTXSID80951263;1-({[(9H-Fluoren-9-yl)methoxy](hydroxy)methylidene}amino)-4-oxocyclohexane-1-carboxylate

Chemical Property of 1-({[(9H-Fluoren-9-yl)methoxy](hydroxy)methylidene}amino)-4-oxocyclohexane-1-carboxylate

Chemical Property:

• Appearance/Colour: white to light beige crystalline powder
• Vapor Pressure: 4.19E-17mmHg at 25°C
• Refractive Index: 1.5614 (estimate)
• Boiling Point: 637.1 °C at 760 mmHg
• Flash Point: 339.1 °C
• PSA: 92.70000
• Density: g/cm³
• LogP: 3.88250
• Storage Temp.: Refrigerator (+4°C)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 378.13414774
• Heavy Atom Count: 28
• Complexity: 595

Purity/Quality:

97% ^*data from raw suppliers

Fmoc-1-amino-4-oxo-cyclohexane carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1=O)(C(=O)[O-])NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Technology Process of 1-({[(9H-Fluoren-9-yl)methoxy](hydroxy)methylidene}amino)-4-oxocyclohexane-1-carboxylate

There total 4 articles about 1-({[(9H-Fluoren-9-yl)methoxy](hydroxy)methylidene}amino)-4-oxocyclohexane-1-carboxylate 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:

8-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1,4-dioxaspiro[4,5]decane-8-carboxylic acid (369403-24-7) → 1-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-oxocyclohexane carboxylic acid (285996-74-9)

Guidance literature:

With hydrogenchloride; In acetone; at 20 ℃; for 4h;

DOI:10.1016/j.tetlet.2004.12.058

Reference yield:

8-amino-1,4-dioxa-spiro[4.5]decane-8-carboxylic acid (54621-18-0) → 1-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-oxocyclohexane carboxylic acid (285996-74-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 79.0 g / NaOH; Et₃N / acetonitrile; H₂O / 20 °C / pH 9

2: 68.7 g / aq. HCl / acetone / 4 h / 20 °C

With hydrogenchloride; sodium hydroxide; triethylamine; In water; acetone; acetonitrile;

DOI:10.1016/j.tetlet.2004.12.058

Reference yield:

N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide (82911-69-1) → 1-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-oxocyclohexane carboxylic acid (285996-74-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 79.0 g / NaOH; Et₃N / acetonitrile; H₂O / 20 °C / pH 9

2: 68.7 g / aq. HCl / acetone / 4 h / 20 °C

With hydrogenchloride; sodium hydroxide; triethylamine; In water; acetone; acetonitrile;

DOI:10.1016/j.tetlet.2004.12.058

upstream raw materials:

8-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1,4-dioxaspiro[4,5]decane-8-carboxylic acid

8-amino-1,4-dioxa-spiro[4.5]decane-8-carboxylic acid

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