1-Azaniumylcycloheptane-1-carboxylate

Base Information

• Chemical Name: 1-Azaniumylcycloheptane-1-carboxylate
• CAS No.: 6949-77-5
• Molecular Formula: C8H15NO2
• Molecular Weight: 157.213
• Hs Code.: 2922499990
• Mol file: 6949-77-5.mol

Synonyms:

Chemical Property of 1-Azaniumylcycloheptane-1-carboxylate

Chemical Property:

• Vapor Pressure: 0.000573mmHg at 25°C
• Melting Point: 320 °C (decomp)(Solv: water (7732-18-5))
• Refractive Index: 1.499
• Boiling Point: 288.9 °C at 760 mmHg
• PKA: pK1: 2.59(+1);pK2: 10.46(0) (25°C)
• Flash Point: 128.5 °C
• PSA: 63.32000
• Density: 1.103 g/cm³
• LogP: 1.82300
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 157.110278721
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

1-AMINOCYCLOHEPTANECARBOXYLIC ACID 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCC(CC1)(C(=O)[O-])[NH3+]
• Uses: 1-?Aminocycloheptanecar?boxylic Acid is used in the synthesis of chlamydocin-hydroxamic acid analogs with histone deacetylase inhibitory activities. It is also used to prepare imidazobioxazolium triflates as precursors for sterically hindered and electron-donating N-heterocyclic carbene ligands.

Technology Process of 1-Azaniumylcycloheptane-1-carboxylate

There total 9 articles about 1-Azaniumylcycloheptane-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: 100.0%

1,3-diaza-spiro[4.6]undecane-2,4-dione (707-16-4) → 1-aminocycloheptane-1-carboxylic acid (6949-77-5)

Guidance literature:

With sodium hydroxide; Heating;

DOI:10.1021/jm00378a023

Reference yield: 99.0%

1-aminocycloheptanecarbonitrile (123193-99-7) → 1-aminocycloheptane-1-carboxylic acid (6949-77-5)

Guidance literature:

With hydrogenchloride; water; In 1,4-dioxane; for 8h; Inert atmosphere; Reflux;

DOI:10.1021/acscombsci.6b00005

Reference yield: 72.0%

sodium cyanide (773837-37-9) + cycloheptanone (502-42-1) → 1-aminocycloheptane-1-carboxylic acid (6949-77-5)

Guidance literature:

sodium cyanide; cycloheptanone; With ammonia; ammonium chloride; In methanol; water; at 25 ℃;

With hydrogenchloride; water; at 100 ℃; for 16h;

DOI:10.1002/anie.202007899

upstream raw materials:

1,3-diaza-spiro[4.6]undecane-2,4-dione

hydrogenchloride

cycloheptanone

1-aminocycloheptanecarbonitrile

Downstream raw materials:

Fmoc-1-aminocycloheptane-1-carboxylic acid

C₉H₁₇NO₂

1-(1,3-dioxoisoindolin-2-yl)cycloheptane-1-carboxylic acid

methyl 1-amino-cycloheptanecarboxylate hydrochloride

Refernces

• 1、 Vicens, Laia,Bietti, Massimo,Costas, Miquel. "General Access to Modified α-Amino Acids by Bioinspired Stereoselective γ-C?H Bond Lactonization". supporting information. p. 4740 - 4746. Retrieved 2020/12/25.
• 2、 Stoyanov, Neyko,Marinov, Marin. "Two methods for spirothiohydantoin synthesis". . p. 680 - 685,6. Retrieved 2020/08/24.