6-(Methoxycarbonyl)spiro[3.3]heptane-2-carboxylic acid

Base Information

• Chemical Name: 6-(Methoxycarbonyl)spiro[3.3]heptane-2-carboxylic acid
• CAS No.: 10481-25-1
• Molecular Formula: C10H14O4
• Molecular Weight: 198.22
• Hs Code.: 2918990090
• European Community (EC) Number: 837-640-2
• DSSTox Substance ID: DTXSID00439952
• Wikidata: Q82256066
• Mol file: 10481-25-1.mol

Synonyms:6-(Methoxycarbonyl)spiro[3.3]heptane-2-carboxylic acid;10481-25-1;Spiro[3.3]heptane-2,6-dicarboxylic acid monomethyl ester;2-methoxycarbonylspiro[3.3]heptane-6-carboxylic Acid;MFCD13195611;Spiro[3.3]heptane-2,6-dicarboxylicacid monomethyl ester;6-Methoxycarbonylspiro[3.3]heptane-2-carboxylic acid;DTXSID00439952;NNVZYAFUSDVQII-UHFFFAOYSA-N;AKOS015950375;PB15160;TS-02801;AM20070561;CS-0050383;FT-0686063;EN300-130791;A856307;W-204537;6-(Methoxycarbonyl)spiro[3.3]heptane-2-carboxylicacid

Chemical Property of 6-(Methoxycarbonyl)spiro[3.3]heptane-2-carboxylic acid

Chemical Property:

• PSA: 63.60000
• LogP: 1.05040
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 198.08920892
• Heavy Atom Count: 14
• Complexity: 270

Purity/Quality:

98%,99%, ^*data from raw suppliers

6-(Methoxycarbonyl)spiro[3.3]heptane-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CC2(C1)CC(C2)C(=O)O

Technology Process of 6-(Methoxycarbonyl)spiro[3.3]heptane-2-carboxylic acid

There total 3 articles about 6-(Methoxycarbonyl)spiro[3.3]heptane-2-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: 95.0%

dimethyl spiro[3.3]heptane-2,6-dicarboxylate (27259-79-6,37942-79-3) → Methyl-hydrogen-spiro<3.3>heptan-2,6-dicarboxylat (10481-25-1)

Guidance literature:

dimethyl spiro[3.3]heptane-2,6-dicarboxylate; With water; sodium hydroxide; In ethanol; for 1h; Reflux;

With hydrogenchloride; In water; pH=5 - 6;

DOI:10.1021/jo101271h

Reference yield: 37.0%

spiro[3.3]heptane-2,6-dicarboxylic acid (3057-91-8,27259-78-5,52193-74-5) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → dimethyl spiro[3.3]heptane-2,6-dicarboxylate (27259-79-6,37942-79-3) + Methyl-hydrogen-spiro<3.3>heptan-2,6-dicarboxylat (10481-25-1)

Guidance literature:

In N,N-dimethyl-formamide; for 16h; Ambient temperature;

DOI:10.1021/jo00125a011

Reference yield:

→ Methyl-hydrogen-spiro<3.3>heptan-2,6-dicarboxylat (10481-25-1)

Guidance literature:

entspr. Dimethylester, NaOH, Me.;

upstream raw materials:

dimethyl spiro[3.3]heptane-2,6-dicarboxylate

spiro[3.3]heptane-2,6-dicarboxylic acid

N,N-dimethyl-formamide dimethyl acetal

Downstream raw materials:

(+/-)-2-carbomethoxy-6-<(N-tert-butoxycarbonyl)amino>spiro<3.3>heptane

Refernces

• 1、 Radchenko, Dmytro S.,Pavlenko, Sergiy O.,Grygorenko, Oleksandr O.,Volochnyuk, Dmitriy M.,Shishkina, Svitlana V.,Shishkin, Oleg V.,Komarov, Igor V.. "Cyclobutane-derived diamines: Synthesis and molecular structure". experimental part. p. 5941 - 5952. Retrieved 2010/11/04.