n-Pentylboronic acid

Base Information

• Chemical Name: n-Pentylboronic acid
• CAS No.: 4737-50-2
• Molecular Formula: C5H13BO2
• Molecular Weight: 115.968
• Hs Code.: 2931900090
• European Community (EC) Number: 808-197-2
• NSC Number: 524968
• UNII: 3WP8AMD5MW
• DSSTox Substance ID: DTXSID50326166
• Nikkaji Number: J1.330.485H
• Wikidata: Q72500141
• Mol file: 4737-50-2.mol

Synonyms:n-Pentylboronic acid;4737-50-2;pentylboronic acid;1-Pentaneboronic acid;Boronic acid, pentyl-;3WP8AMD5MW;MFCD01074651;NSC-524968;1-PENTYLBORONIC ACID;n-Pentylboronicacid;Pentyl boronic acid;Pentylboronsaure;UNII-3WP8AMD5MW;C(CCCC)B(O)O;B-PENTYLBORONIC ACID;SCHEMBL10239;N-PENTYL BORONIC ACID;DTXSID50326166;NSC524968;AKOS013013911;AB08098;CS-W018820;NSC 524968;AS-18755;FT-0650400;P2267;EN300-206193;A827200;J-523748;F0001-1263

Chemical Property of n-Pentylboronic acid

Chemical Property:

• Vapor Pressure: 0.0513mmHg at 25°C
• Melting Point: 94°C(lit.)
• Refractive Index: 1.409
• Boiling Point: 207.9 °C at 760 mmHg
• PKA: 10.37±0.43(Predicted)
• Flash Point: 79.5 °C
• Density: 0.905 g/cm³
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Solubility.: Chloroform, DMSO
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 116.1008598
• Heavy Atom Count: 8
• Complexity: 47.7

Purity/Quality:

98% ^*data from raw suppliers

PentylboronicAcid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(CCCCC)(O)O
• Uses: N-Pentylboronic Acid is used in the synthesis of (-)-Δ8-THC and (-)-Δ9-THC. Also it aids in the synthesis of boronic acid inhibitors of endothelial lipase.

Technology Process of n-Pentylboronic acid

There total 2 articles about n-Pentylboronic 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:

(C4H9O)B(C5H11)(OC5H11) (73895-30-4) → pentan-1-ol (71-41-0) + n-pentylboronic acid (4737-50-2) + butan-1-ol (71-36-3)

Guidance literature:

protolytic cleavage;

Reference yield:

(C4H9O)B(C5H11)(OOC4H9) (73895-31-5) → tert.-butylhydroperoxide (75-91-2) + n-pentylboronic acid (4737-50-2) + butan-1-ol (71-36-3)

Guidance literature:

protolytic cleavage;

Reference yield: 96.0%

n-pentylboronic acid (4737-50-2) + 2-(4-bromo-phenyl)-6-methoxybenzofuran → 6-methoxy-2-(4-pentylphenyl)benzofuran

Guidance literature:

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate monohydrate; palladium diacetate; In toluene; at 120 ℃; for 24h;

upstream raw materials:

(C₄H₉O)B(C₅H₁₁)(OC₅H₁₁)

(C₄H₉O)B(C₅H₁₁)(OOC₄H₉)

Downstream raw materials:

B,B',B''-Tripentyl-boroxin

pentan-1-ol

(1S,2S,6R,8S)-2,9,9-Trimethyl-4-pentyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0^2,6]decane

pentylbenzene

Refernces