methyl 2-AMINO-1-CYCLOHEXENE-1-CARBOXYLATE

Base Information

• Chemical Name: methyl 2-AMINO-1-CYCLOHEXENE-1-CARBOXYLATE
• CAS No.: 56661-88-2
• Molecular Formula: C8H13 N O2
• Molecular Weight: 155.197
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID40369300
• Nikkaji Number: J1.494.586E
• Wikidata: Q82156351
• Mol file: 56661-88-2.mol

Synonyms:methyl 2-AMINO-1-CYCLOHEXENE-1-CARBOXYLATE;56661-88-2;methyl 2-aminocyclohex-1-enecarboxylate;methyl 2-aminocyclohexene-1-carboxylate;Maybridge3_000482;HMS1432F20;Oprea1_256853;SCHEMBL1400009;DTXSID40369300;RMXRUKCQJHLQFA-UHFFFAOYSA-N;CCG-46469;AKOS015969403;methyl2-aminocyclohex-1-enecarboxylate;IDI1_011869;methyl 2-aminocyclohex-1-ene-1-carboxylate;METHYL2-AMINO-1-CYCLOHEXENE-1-CARBOXYLATE;SR-01000636165-1;2-Amino-1-cyclohexene-1-carboxylic acid methyl ester

Chemical Property of methyl 2-AMINO-1-CYCLOHEXENE-1-CARBOXYLATE

Chemical Property:

• Vapor Pressure: 0.00514mmHg at 25°C
• Melting Point: 50-53 °C
• Refractive Index: 1.4890 (estimate)
• Boiling Point: 275.3°Cat760mmHg
• Flash Point: 120.3°C
• PSA: 52.32000
• Density: 1.17g/cm³
• LogP: 1.64650
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 155.094628657
• Heavy Atom Count: 11
• Complexity: 196

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(CCCC1)N

Technology Process of methyl 2-AMINO-1-CYCLOHEXENE-1-CARBOXYLATE

There total 3 articles about methyl 2-AMINO-1-CYCLOHEXENE-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: 91.0%

2-(methoxycarbonyl)cyclohexanone (41302-34-5) → methyl 2-amino-1-cyclohexene-1-carboxylate (56661-88-2)

Guidance literature:

With ammonium acetate; In methanol; at 20 ℃;

DOI:10.1021/jm100022r

Reference yield:

(1R,2S)-methyl 2-aminocyclohexanecarboxylate (40015-88-1,161618-52-6) → methyl 2-amino-1-cyclohexene-1-carboxylate (56661-88-2)

Guidance literature:

With N-trimethylsilyl(triphenylphosphoranylidene)amine; toluene-4-sulfonic acid; isopropyl alcohol; In toluene; for 10h; Reflux;

DOI:10.1016/j.ejmech.2014.01.036

Reference yield:

→ methyl 2-amino-1-cyclohexene-1-carboxylate (56661-88-2)

Guidance literature:

upstream raw materials:

2-(methoxycarbonyl)cyclohexanone

(1R,2S)-methyl 2-aminocyclohexanecarboxylate

Downstream raw materials:

C₂₇H₃₇NO₄Si

C₂₆H₂₈N₄O₆

5,6,7,8-tetrahydroquinazolin-4(3H)-one

C₂₀H₂₂N₄O₅