Hydroxycarbonyl hydrogen carbonate

Base Information

• Chemical Name: Hydroxycarbonyl hydrogen carbonate
• CAS No.: 2742-27-0
• Molecular Formula: C4H6O3
• Molecular Weight: 106.068
• DSSTox Substance ID: DTXSID90585058
• Wikidata: Q82476856
• Mol file: 2742-27-0.mol

Synonyms:Hydroxycarbonyl hydrogen carbonate;2742-27-0;(~14~C_2_)Dicarbonic acid;DTXSID90585058

Chemical Property of Hydroxycarbonyl hydrogen carbonate

Chemical Property:

• Flash Point: 49 °C
• PSA: 43.37000
• LogP: 0.09600
• Storage Temp.: 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 109.99670714
• Heavy Atom Count: 7
• Complexity: 82.3

Purity/Quality:

99%, ^*data from raw suppliers

ACETIC ANHYDRIDE[1-14C] 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,R
• Hazard Codes: C,R
• Statements: 10-34
• Safety Statements: 16-26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)(O)OC(=O)O
• Isomeric SMILES: [14C](=O)(O)O[14C](=O)O

Technology Process of Hydroxycarbonyl hydrogen carbonate

There total 2 articles about Hydroxycarbonyl hydrogen carbonate 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:

carbon disulfide (75-15-0,12122-00-8) + silver acetate → silver sulfide + 1-[14C]-acetic anhydride (2742-27-0)

Guidance literature:

In neat (no solvent); closed tube, 140°C;;

Reference yield:

→ 1-[14C]-acetic anhydride (2742-27-0)

Guidance literature:

Acetanhydrid, Natriumacetat (carbonyl-14C);

DOI:10.1248/cpb.12.166

Reference yield: 89.0%

1-[14C]-acetic anhydride (2742-27-0) + (2aR,4S,4aS,6R,9S,11S,12S,12bS)-6,12b-bis(acetyloxy)-9-({(2R,3S)-3-(benzoylamino)-3-phenyl-2-[(triethylsilyl)oxy]propanoyl}oxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9, 10,11,12,12a,12bdodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate (148930-54-5) → 2'-triethylsilyl-7-(-acetyl)paclitaxel (220167-83-9)

Guidance literature:

With pyridine; dmap; for 20h; Ambient temperature;

DOI:10.1016/S0968-0896(98)00158-8

upstream raw materials:

carbon disulfide

Downstream raw materials:

Methyl N-cyanoacetimidate

2'-triethylsilyl-7-(-acetyl)paclitaxel

Refernces

• 1、 Bonner. "". . p. 962. Retrieved 1961.