1,3,2-Dioxaborolane, 2-[(1R,2R)-2-(3-chloropropyl)cyclopropyl]-4,4,5,5-tetramethyl-, rel-

Base Information

Chemical Name:1,3,2-Dioxaborolane, 2-[(1R,2R)-2-(3-chloropropyl)cyclopropyl]-4,4,5,5-tetramethyl-, rel-
CAS No.:126726-63-4
Molecular Formula:C₁₂H₂₂BClO₂
Molecular Weight:244.569
Hs Code.:
DSSTox Substance ID:DTXSID101127957
Mol file:126726-63-4.mol

Synonyms:1,3,2-Dioxaborolane, 2-[(1R,2R)-2-(3-chloropropyl)cyclopropyl]-4,4,5,5-tetramethyl-, rel-;SCHEMBL14730375;DTXSID101127957;rel-2-[(1R,2R)-2-(3-Chloropropyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Suppliers and Price of 1,3,2-Dioxaborolane, 2-[(1R,2R)-2-(3-chloropropyl)cyclopropyl]-4,4,5,5-tetramethyl-, rel-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 8 raw suppliers

Chemical Property of 1,3,2-Dioxaborolane, 2-[(1R,2R)-2-(3-chloropropyl)cyclopropyl]-4,4,5,5-tetramethyl-, rel-

Chemical Property:

Vapor Pressure:0.007mmHg at 25°C
Boiling Point:279℃
Flash Point:123℃
Density:1.03
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:244.1401378
Heavy Atom Count:16
Complexity:252

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:B1(OC(C(O1)(C)C)(C)C)C2CC2CCCCl
Isomeric SMILES:B1(OC(C(O1)(C)C)(C)C)[C@@H]2C[C@H]2CCCCl

Technology Process of 1,3,2-Dioxaborolane, 2-[(1R,2R)-2-(3-chloropropyl)cyclopropyl]-4,4,5,5-tetramethyl-, rel-

There total 2 articles about 1,3,2-Dioxaborolane, 2-[(1R,2R)-2-(3-chloropropyl)cyclopropyl]-4,4,5,5-tetramethyl-, rel- 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: 79.0%

: 75-11-6
diiodomethane

: 154820-95-8
2-(5-chloropent-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

: 126726-63-4
2-[2-(3-chloropropyl)cyclopropyl]-4,4,5,5-tetramethyl[1,3,2]dioxaborolane

Guidance literature:: diiodomethane; With diethylzinc; trifluoroacetic acid; In n-heptane; dichloromethane; at 3 ℃; for 0.5h; Inert atmosphere;

2-(5-chloropent-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; In n-heptane; dichloromethane; at 3 - 20 ℃; for 20h; Inert atmosphere;
DOI:10.1021/op2002497

Reference yield:

: 14267-92-6
1-chloro-4-pentyne

: 25015-63-8
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

: 126726-63-4
2-[2-(3-chloropropyl)cyclopropyl]-4,4,5,5-tetramethyl[1,3,2]dioxaborolane

Guidance literature:: Multi-step reaction with 2 steps

1.1: bis(cyclohexanyl)borane

2.1: diethylzinc; trifluoroacetic acid / n-heptane; dichloromethane / 0.5 h / 3 °C / Inert atmosphere

2.2: 20 h / 3 - 20 °C / Inert atmosphere

With bis(cyclohexanyl)borane; diethylzinc; trifluoroacetic acid; In n-heptane; dichloromethane; 2.2: Simmons-Smith reaction;
DOI:10.1021/op2002497

Reference yield:

: 126726-63-4
2-[2-(3-chloropropyl)cyclopropyl]-4,4,5,5-tetramethyl[1,3,2]dioxaborolane

: 1350619-77-0
(1R,2R)-2-(pent-4-yn-1-yl)cyclopropan-1-ol

: 1425038-18-1
acetic acid (1S,2S)-2-pent-4-ynylcyclopropyl ester

Guidance literature:: Multi-step reaction with 4 steps

1.1: sodium hydroxide; dihydrogen peroxide / methanol / 1.5 h / 10 - 20 °C

2.1: n-hexyllithium / tetrahydrofuran / 1 h / 0 - 6.8 °C / Inert atmosphere

2.2: 3 h / 20 - 52 °C

3.1: triethylamine / tert-butyl methyl ether / 2.5 h / 5 - 20 °C / Inert atmosphere

4.1: Novozym 435 / aq. phosphate buffer; tert-butyl methyl ether / 4 h / 10 °C / pH 7 / Enzymatic reaction

With Novozym 435; dihydrogen peroxide; n-hexyllithium; triethylamine; sodium hydroxide; In tetrahydrofuran; methanol; aq. phosphate buffer; tert-butyl methyl ether;