4-Trimethylsilylbutanoic acid

Base Information

• Chemical Name: 4-Trimethylsilylbutanoic acid
• CAS No.: 2345-40-6
• Molecular Formula: C₇H₁₆O₂Si
• Molecular Weight: 160.288
• European Community (EC) Number: 844-994-1
• DSSTox Substance ID: DTXSID90901299
• Nikkaji Number: J303.528J
• Mol file: 2345-40-6.mol

Synonyms:4-trimethylsilylbutanoic acid;2345-40-6;4-(trimethylsilyl)butanoic acid;Butanoic acid, 4-(trimethylsilyl)-;4-trimethylsilylbutyric acid;4-(trimethylsilyl)butanoicacid;SCHEMBL2786329;4-(trimethylsilyl)-butanoic acid;DTXSID90901299;SZCGFQALLUBALV-UHFFFAOYSA-N;CAA34540;EN300-219014

Chemical Property of 4-Trimethylsilylbutanoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 2.18940
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 160.091956283
• Heavy Atom Count: 10
• Complexity: 115

Purity/Quality:

4-trimethylsilylbutanoicacid 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[Si](C)(C)CCCC(=O)O

Technology Process of 4-Trimethylsilylbutanoic acid

There total 12 articles about 4-Trimethylsilylbutanoic 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:

3-(trimethylsilyl)propyl bromide (10545-34-3) + carbon dioxide (124-38-9,18923-20-1) → 4-trimethylsilanyl-butyric acid (2345-40-6) + 3-trimethylsilanyl-butyric acid (18269-60-8)

Guidance literature:

With magnesium;

Reference yield:

3-(trmethylsilyl)propylmagnesium bromide (109665-49-8) → 4-trimethylsilanyl-butyric acid (2345-40-6)

Guidance literature:

With CO₂; HCl; In not given; (CH3)3SiCH2CH2CH2MgBr and CO2; hydrolysis with HCl;;

Reference yield:

3-trimethylsilyl-1-propanol (2917-47-7) → 4-trimethylsilanyl-butyric acid (2345-40-6)

Guidance literature:

Multi-step reaction with 3 steps

1: PBr₃ / not given

2: diethyl ether

3: CO₂; HCl / not given

With PBr₃; CO₂; HCl; In diethyl ether;

upstream raw materials:

γ-(trimethylsilyl)-n-butyronitrile

(3-chloropropyl)trimethylsilane

carbon dioxide

Diazomethyl-<2-trimethylsilyl-aethyl>-keton

Downstream raw materials:

4-(Trimethylsilyl)-buttersaeuremethylester

entspr. Saeurechlorid, Lithium-α-cumylperoxid

3-aminopropyltrimethylsilane

4,4'-(1,1,3,3-tetramethyldisiloxane-1,3-diyl)dibutyric acid

Refernces

• 1、 -. "N-derivatives of 1-deoxy nojirimycin". . . Retrieved 2008/06/13.