ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate

Base Information

• Chemical Name: ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate
• CAS No.: 864754-16-5
• Molecular Formula: C13H21 B N2 O4
• Molecular Weight: 280.132
• Hs Code.: 2934999090
• European Community (EC) Number: 625-905-3
• DSSTox Substance ID: DTXSID80584919
• Wikidata: Q82476675
• Mol file: 864754-16-5.mol

Synonyms:864754-16-5;ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate;1-(Ethoxycarbonylmethyl)-1H-pyrazole-4-boronic acid pinacol ester;1-(ETHOXYCARBONYLMETHYL)-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER;ETHYL 2-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRAZOL-1-YL]ACETATE;1-(Ethoxycarbonylmethyl)pyrazole-4-boronic Acid Pinacol Ester;MFCD08706026;ethyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl]acetate;ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetate;[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-acetic acid ethyl ester;SCHEMBL938503;AMY1177;DTXSID80584919;YUEZJHOSHBTWPV-UHFFFAOYSA-N;BCP11776;(1-(2-ETHOXY-2-OXOETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER;AKOS015960182;ethyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl]acetate;CS-W012278;GS-5862;SB12209;SY025112;A21894;F2147-7242;1-(Ethoxycarbonylmethyl)-1H-pyrazole-4-boronic acid pinacol ester, 97%;[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]acetic acid ethyl ester;[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)pyrazol-1-yl]-acetic acid ethyl ester;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-Pyrazole-1-acetic acid ethyl ester;ethyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetate;ethyl2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate

Chemical Property of ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate

Chemical Property:

• Vapor Pressure: 2.57E-06mmHg at 25°C
• Refractive Index: n20/D 1.4814
• Boiling Point: 390.8°C at 760 mmHg
• PKA: 1.49±0.10(Predicted)
• Flash Point: 110 °C
• PSA: 62.58000
• Density: 1.12g/cm³
• LogP: 0.74540
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 280.1594373
• Heavy Atom Count: 20
• Complexity: 359

Purity/Quality:

99%, ^*data from raw suppliers

1-(Ethoxycarbonylmethyl)-1H-pyrazole-4-boronic acid pinacol ester ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC(=O)OCC
• Uses: 1-(Ethoxycarbonylmethyl)-1H-pyrazole-4-boronic acid pinacol ester

Technology Process of ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate

There total 3 articles about ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetate 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: 85.3%

→ (4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl)-acetic acid ethyl ester (864754-16-5)

Guidance literature:

With caesium carbonate; In acetonitrile; at 80 ℃; for 12h;

Reference yield: 76.0%

pyrazole-4-boronic acid pinacol ester (269410-08-4) + ethyl bromoacetate (105-36-2) → (4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl)-acetic acid ethyl ester (864754-16-5)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃;

Reference yield: 19.0%

2-(4-bromopyrazol-1-yl)acetic acid ethyl ester (82231-58-1) + bis(pinacol)diborane (73183-34-3) → (4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl)-acetic acid ethyl ester (864754-16-5)

Guidance literature:

With potassium acetate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In N,N-dimethyl-formamide; at 0 - 80 ℃;

upstream raw materials:

2-(4-bromopyrazol-1-yl)acetic acid ethyl ester

bis(pinacol)diborane

pyrazole-4-boronic acid pinacol ester

ethyl bromoacetate

Downstream raw materials:

C₂₁H₂₀Cl₂FN₃O₃

(R)-2-(4-(6-(4-cyanophenyl)1,4-dimethyl-5,6-dihydro-4H-benzo[b][1,2,4]triazolo[4,3-d][1,4]diazepin-8-yl)-1H-pyrazol-1-yl)acetamide

(R)-2-(4-(6-(4-cyanophenyl)1,4-dimethyl-5,6-dihydro-4H-benzo[b][1,2,4]triazolo[4,3-d][1,4]diazepin-8-yl)-1H-pyrazol-1-yl)acetic acid

(4-{4-[4-(tert-butoxycarbonylaminomethyl)-3-fluorophenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl}pyrazol-1-yl)acetic acid ethyl ester

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