5,5-Dimethoxypentanoic acid

Base Information

• Chemical Name: 5,5-Dimethoxypentanoic acid
• CAS No.: 6719-33-1
• Molecular Formula: C7H14O4
• Molecular Weight: 162.186
• European Community (EC) Number: 857-674-1
• DSSTox Substance ID: DTXSID80473036
• Nikkaji Number: J3.471.045G
• Wikidata: Q82302211

Synonyms:5,5-dimethoxypentanoic acid;6719-33-1;5,5-dimethoxy-pentanoic acid;SCHEMBL2068783;DTXSID80473036;5,5-bis(methyloxy)pentanoic acid;QFGMIDHGDONRJQ-UHFFFAOYSA-N;EN300-118434

Chemical Property of 5,5-Dimethoxypentanoic acid

Chemical Property:

• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 162.08920892
• Heavy Atom Count: 11
• Complexity: 109

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(CCCC(=O)O)OC

Technology Process of 5,5-Dimethoxypentanoic acid

There total 2 articles about 5,5-Dimethoxypentanoic 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: 28.0%

methanol (67-56-1) + 2-hydroxy-2-cyclohexen-1-one (10316-66-2) → 1,5-pentanedioic acid (110-94-1) + 5-oxopentanoic acid (5746-02-1) + 5,5-dimethoxy-1-oxopentanoic acid (6719-33-1) + methyl 5-carboxy-2-hydroxypentanoate (86544-11-8)

Guidance literature:

With oxygen; methylene blue; at 0 ℃; for 12h; Further byproducts given; Irradiation;

DOI:10.1016/S0040-4020(01)96588-3

Reference yield: 9.0%

2-hydroxy-2-cyclohexen-1-one (10316-66-2) → 1,5-pentanedioic acid (110-94-1) + 5-oxopentanoic acid (5746-02-1) + adipic acid monomethyl ester (627-91-8) + 5,5-dimethoxy-1-oxopentanoic acid (6719-33-1) + methyl 5-carboxy-2-hydroxypentanoate (86544-11-8)

Guidance literature:

With oxygen; methylene blue; In methanol; at 30 ℃; for 10h; Product distribution; Irradiation; yield depends on the reaction conditions (temp., sensitizer, solvent);

DOI:10.1016/S0040-4020(01)96588-3

Reference yield: 98.0%

(2R,3R,4S,5S,6S)-2,6-diallyl-4-(benzyloxy)-5-(4-methoxybenzyloxy)-tetrahydro-2H-pyran-3-ol (1093240-28-8) + 5,5-dimethoxy-1-oxopentanoic acid (6719-33-1) → (2R,3R,4R,5S,6S)-2,6-diallyl-4-(benzyloxy)-5-(4-methoxybenzyloxy)-tetrahydro-2H-pyran-3-yl 5,5-dimethoxypentanoate (1093240-29-9)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/ol8025439

upstream raw materials:

methanol

2-hydroxy-2-cyclohexen-1-one

Downstream raw materials:

(R)-4-benzyl-3-(5,5-dimethoxypentanoyl)-2-oxazolidinone

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