3-Butoxycarbonylphenylboronic acid

Base Information

• Chemical Name: 3-Butoxycarbonylphenylboronic acid
• CAS No.: 827300-04-9
• Molecular Formula: C11H15BO4
• Molecular Weight: 222.04500
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID40457978
• Mol file: 827300-04-9.mol

Synonyms:827300-04-9;3-BUTOXYCARBONYLPHENYLBORONIC ACID;(3-(Butoxycarbonyl)phenyl)boronic acid;(3-butoxycarbonylphenyl)boronic Acid;3-(BUTOXYCARBONYL)PHENYLBORONIC ACID;[3-(Butoxycarbonyl)phenyl]boronic acid;SCHEMBL878699;DTXSID40457978;GXRBUIKBJAGBSJ-UHFFFAOYSA-N;MFCD02179446;(3-(Butoxycarbonyl)phenyl)boronicacid;AKOS022173304;3-(1-Butoxycarbonyl)phenylboronic acid;CS-0190059;FT-0768782;D71317;A864358

Chemical Property of 3-Butoxycarbonylphenylboronic acid

Chemical Property:

• Vapor Pressure: 9.5E-07mmHg at 25°C
• Boiling Point: 389oC at 760 mmHg
• Flash Point: 189.1oC
• PSA: 66.76000
• Density: 1.15g/cm3
• LogP: 0.32330
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 222.1063391
• Heavy Atom Count: 16
• Complexity: 220

Purity/Quality:

98%min ^*data from raw suppliers

3-ButoxycarbonylphenylboronicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC=C1)C(=O)OCCCC)(O)O

Technology Process of 3-Butoxycarbonylphenylboronic acid

There total 1 articles about 3-Butoxycarbonylphenylboronic 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: 70.0%

3-Carboxyphenylboronic acid (25487-66-5) + butan-1-ol (71-36-3) → 3-butoxycarbonylphenylboronic acid (827300-04-9)

Guidance literature:

With dicyclohexyl-carbodiimide; 4-(dimethylamino)pyridinium tosylate; In N,N-dimethyl-formamide;

DOI:10.1021/ja401373h

Reference yield: 60.0%

3-butoxycarbonylphenylboronic acid (827300-04-9) + 8-bromo-2'-deoxyguanosine (13389-03-2) → 8-(3-butoxycarbonylphenyl)-2'-deoxyguanosine (1426244-64-5)

Guidance literature:

With trisodium tris(3-sulfophenyl)phosphine; palladium diacetate; sodium carbonate; In water; acetonitrile; at 80 ℃;

DOI:10.1021/ja401373h

Reference yield:

3-butoxycarbonylphenylboronic acid (827300-04-9) → C31H39N11O8 (1426244-67-8)

Guidance literature:

Multi-step reaction with 3 steps

1: trisodium tris(3-sulfophenyl)phosphine; palladium diacetate; sodium carbonate / water; acetonitrile / 80 °C

2: dicyclohexyl-carbodiimide; 4-(dimethylamino)pyridinium tosylate / N,N-dimethyl-formamide

3: sodium azide / N,N-dimethyl-formamide / 8 h / 80 °C

With sodium azide; trisodium tris(3-sulfophenyl)phosphine; palladium diacetate; sodium carbonate; dicyclohexyl-carbodiimide; 4-(dimethylamino)pyridinium tosylate; In water; N,N-dimethyl-formamide; acetonitrile; 1: |Suzuki Coupling;

DOI:10.1021/ja401373h

upstream raw materials:

3-Carboxyphenylboronic acid

butan-1-ol

Downstream raw materials:

C₃₁H₃₉N₁₁O₈

C₄₇H₆₃N₁₁O₁₆

8-(3-butoxycarbonylphenyl)-(3',5'-bis-O-(6-bromopentanoyl))-2'-deoxyguanosine

8-(3-butoxycarbonylphenyl)-2'-deoxyguanosine

Refernces