Tetrahydro-2H-pyran-2-carboxylic acid

Base Information

• Chemical Name: Tetrahydro-2H-pyran-2-carboxylic acid
• CAS No.: 51673-83-7
• Molecular Formula: C6H10O3
• Molecular Weight: 130.144
• Hs Code.: 2932999099
• European Community (EC) Number: 815-733-9
• DSSTox Substance ID: DTXSID60449951,DTXSID10901493
• Nikkaji Number: J586.965J
• Mol file: 51673-83-7.mol

Synonyms:51673-83-7;TETRAHYDROPYRAN-2-CARBOXYLIC ACID;Tetrahydro-2H-pyran-2-carboxylic acid;Oxane-2-carboxylic Acid;MFCD07779239;2H-Pyran-2-carboxylic acid, tetrahydro-;MFCD18909424;NoName_618;2-Tetrahydropyranoic Acid;SCHEMBL353811;tetrahydro-pyran-carboxylic acid;DTXSID10901493;DTXSID60449951;tetrahydro-pyran-2-carboxylic acid;trans-tetrahydropyran carboxylic acid;STL433102;Tetrahydro-2H-pyran-2-carboxylicacid;AKOS011495421;CS-W001872;SB23171;SB45430;SB45635;BS-13115;SY003244;SY100445;AM20100266;BB 0253439;FT-0678444;EN300-61323;Tetrahydropyran-2-carboxylic acid, AldrichCPR;A871209;J-524875;F0001-1345;Z963633098

Chemical Property of Tetrahydro-2H-pyran-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Refractive Index: 1.473
• Boiling Point: 264.5 °C at 760 mmHg
• PKA: 3.70±0.20(Predicted)
• Flash Point: 114.039 °C
• PSA: 46.53000
• Density: 1.186 g/cm³
• LogP: 0.64010
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 130.062994177
• Heavy Atom Count: 9
• Complexity: 111

Purity/Quality:

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

Tetrahydro-2H-pyran-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCOC(C1)C(=O)O

Technology Process of Tetrahydro-2H-pyran-2-carboxylic acid

There total 1 articles about Tetrahydro-2H-pyran-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: 6.0%

Tetrahydropyran-2-methanol (100-72-1) → tetrahydropyran-2-carboxylic acid (51673-83-7) + 1,5-pentanedioic acid (110-94-1)

Guidance literature:

oxidation at the Ni-hydroxide electrode;

DOI:10.1016/S0040-4020(01)87061-7

Reference yield: 100.0%

tetrahydropyran-2-carboxylic acid (51673-83-7) + (2S,3S,4S,5S)-3-tert-butyl-4-(5-tert-butyl-2-methoxybenzylamino)-5-(2-isopropylphenyl)pyrrolidine-2-carboxylic acid ethyl ester → (2S,3S,4S,5S)-3-tert-butyl-4-(5-tert-butyl-2-methoxybenzylamino)-5-(2-isopropylphenyl)-1-(tetrahydropyran-2-carbonyl)pyrrolidine-2-carboxylic acid ethyl ester

Guidance literature:

tetrahydropyran-2-carboxylic acid; With 1-chloro-1-(dimethylamino)-2-methyl-1-propene; In dichloromethane; at 0 ℃; for 0.0833333h;

(2S,3S,4S,5S)-3-tert-butyl-4-(5-tert-butyl-2-methoxybenzylamino)-5-(2-isopropylphenyl)pyrrolidine-2-carboxylic acid ethyl ester; With diethylamine; In dichloromethane; at 0 - 20 ℃; for 1.66667h;

Reference yield: 100.0%

tetrahydropyran-2-carboxylic acid (51673-83-7) + (2S,3R,4S,5S)-ethyl 3-(tert-butyl)-4-nitro-5-(o-tolyl)pyrrolidine-2-carboxylate → ethyl (2S,3R,4S,5S)-3-(tert-butyl)-4-nitro-1-((S)-tetrahydro-2H-pyran-2-carbonyl)-5-(o-tolyl)pyrrolidine-2-carboxylate

Guidance literature:

tetrahydropyran-2-carboxylic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 3h;

(2S,3R,4S,5S)-ethyl 3-(tert-butyl)-4-nitro-5-(o-tolyl)pyrrolidine-2-carboxylate; With triethylamine; In dichloromethane; at 20 ℃; for 17h;

upstream raw materials:

Tetrahydropyran-2-methanol

Downstream raw materials:

tetrahydropyran-2-carboxylic acid chloride

2-carbomethoxytetrahydropyran

2-phenyl-1-(tetrahydro-2'H-pyran-2'-yl)-1-ethanone

phenyl(tetrahydro-2H-pyran-2-yl)methanone

Refernces