{1-[4-(Carboxymethoxy)-3-nitrophenyl]-2,2-dimethylpropoxy}(dimethyl)silyl

Base Information

• Chemical Name: {1-[4-(Carboxymethoxy)-3-nitrophenyl]-2,2-dimethylpropoxy}(dimethyl)silyl
• CAS No.: 308815-83-0
• Molecular Formula: C₁₅H₂₃NO₆Si
• Molecular Weight: 341.436
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID50695703
• Mol file: 308815-83-0.mol

Synonyms:DTXSID50695703;AKOS015837800;{1-[4-(Carboxymethoxy)-3-nitrophenyl]-2,2-dimethylpropoxy}(dimethyl)silyl

Chemical Property of {1-[4-(Carboxymethoxy)-3-nitrophenyl]-2,2-dimethylpropoxy}(dimethyl)silyl

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.516
• Boiling Point: 453.804°C at 760 mmHg
• Flash Point: 228.253°C
• PSA: 101.58000
• Density: 1.162g/cm³
• LogP: 4.10320
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 340.12163896
• Heavy Atom Count: 23
• Complexity: 417

Purity/Quality:

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

2-[4-(tert-Butyldimethylsilyloxymethyl)-2-nitrophenoxy]acetic Acid >98.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(C1=CC(=C(C=C1)OCC(=O)O)[N+](=O)[O-])O[Si](C)C

Technology Process of {1-[4-(Carboxymethoxy)-3-nitrophenyl]-2,2-dimethylpropoxy}(dimethyl)silyl

There total 5 articles about {1-[4-(Carboxymethoxy)-3-nitrophenyl]-2,2-dimethylpropoxy}(dimethyl)silyl 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:

methyl 2-(4-(((tert-butyldimethylsilyl)oxy)methyl)-2-nitrophenoxy)acetate → [4-(tert-butyl-dimethyl-silanyloxymethyl)-2-nitro-phenoxy]-acetic acid (308815-83-0)

Guidance literature:

With lithium hydroxide; In methanol;

Reference yield:

4-hydroxy-3-nitrobenzaldehyde (3011-34-5) → [4-(tert-butyl-dimethyl-silanyloxymethyl)-2-nitro-phenoxy]-acetic acid (308815-83-0)

Guidance literature:

Multi-step reaction with 4 steps

1: K₂CO₃ / acetonitrile

2: NaBH₄ / ethanol

3: Et₃N; DMAP / CH₂Cl₂

4: aq. LiOH / methanol

With dmap; lithium hydroxide; sodium tetrahydroborate; potassium carbonate; triethylamine; In methanol; ethanol; dichloromethane; acetonitrile; 1: Alkylation / 2: Reduction / 3: Etherification / 4: Hydrolysis;

Reference yield:

tert-butyldimethylsilyl chloride (18162-48-6) → [4-(tert-butyl-dimethyl-silanyloxymethyl)-2-nitro-phenoxy]-acetic acid (308815-83-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N; DMAP / CH₂Cl₂

2: aq. LiOH / methanol

With dmap; lithium hydroxide; triethylamine; In methanol; dichloromethane; 1: Etherification / 2: Hydrolysis;

upstream raw materials:

4-hydroxy-3-nitrobenzaldehyde

tert-butyldimethylsilyl chloride

4-methoxylcarbonylmethoxy-3-nitro-benzaldehyde

methyl 2-[4-(hydroxymethyl)-2-nitrophenoxy]acetate

Refernces