3-Cyano-1-propylboronic acid pinacol ester

Base Information

• Chemical Name: 3-Cyano-1-propylboronic acid pinacol ester
• CAS No.: 238088-16-9
• Molecular Formula: C10H18 B N O2
• Molecular Weight: 195.069
• Hs Code.: 29269095
• European Community (EC) Number: 641-138-7
• DSSTox Substance ID: DTXSID00457934
• Nikkaji Number: J3.121.228F
• Wikidata: Q82281015
• Mol file: 238088-16-9.mol

Synonyms:238088-16-9;3-Cyano-1-propylboronic acid pinacol ester;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile;4-(tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile;1,3,2-Dioxaborolane-2-butanenitrile, 4,4,5,5-tetramethyl-;3-Cyano-1-propylboronic acid pinacol ester, 96%;DTXSID00457934;LVMSRWXPZLRTIC-UHFFFAOYSA-N;4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)butyronitrile;MFCD09953480;AKOS006345197;BS-23106;CS-0174435;W13795;3-Cyano-1-propylboronic acid pinacol ester,96%;EN300-3273830;A878134;J-015222;4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)butanenitrile

Chemical Property of 3-Cyano-1-propylboronic acid pinacol ester

Chemical Property:

• Refractive Index: 1.4370
• Boiling Point: 264.1±23.0 °C(Predicted)
• PSA: 42.25000
• Density: 0.95±0.1 g/cm3(Predicted)
• LogP: 2.38238
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 195.1430590
• Heavy Atom Count: 14
• Complexity: 238

Purity/Quality:

97% ^*data from raw suppliers

3-Cyano-1-propylboronicacidpinacolester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)CCCC#N
• Uses: 3-Cyano-1-propylboronic acid pinacol ester

Technology Process of 3-Cyano-1-propylboronic acid pinacol ester

There total 10 articles about 3-Cyano-1-propylboronic acid pinacol ester 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: 95.0%

but-3-enenitrile (109-75-1) + 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane (25015-63-8) → 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile (238088-16-9)

Guidance literature:

With C₂₈H₃₀CoNP; In benzene-d6; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/acs.organomet.8b00114

Reference yield: 91.0%

sodium cyanide (143-33-9,25596-52-5) + 2-(3-Bromopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (124215-44-7) → 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile (238088-16-9)

Guidance literature:

In dimethyl sulfoxide; at 50 ℃; for 12h;

DOI:10.1021/ol990579+

Reference yield: 87.0%

2,3-dimethyl-2,3-butane diol (76-09-5) + 4-Chlorobutyronitrile (628-20-6) + 1,3-dimethyl-2-(tributylstannyl)-2,3-dihydro-1H-benzo[d][1,3,2]diazaborole → 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile (238088-16-9)

Guidance literature:

4-Chlorobutyronitrile; 1,3-dimethyl-2-(tributylstannyl)-2,3-dihydro-1H-benzo[d][1,3,2]diazaborole; With 1,1'-azobis(1-cyanocyclohexanenitrile); In n-heptane; at 100 ℃; for 6h; Inert atmosphere; Glovebox; Sealed tube;

2,3-dimethyl-2,3-butane diol; With hydrogenchloride; In 1,4-dioxane; n-heptane; water; at 20 ℃; for 2h; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1002/chem.202004692

upstream raw materials:

but-3-enenitrile

4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

sodium cyanide

2-(3-Bromopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Downstream raw materials:

4-aminobutyronitrile

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