4-[(ISOPROPYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ISOPROPYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER

Base Information

• Chemical Name: 4-[(ISOPROPYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ISOPROPYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER
• CAS No.: 874291-02-8
• Molecular Formula: C₁₆H₂₅BN₂O₃
• Molecular Weight: 304.197
• Hs Code.: 2934999090
• Mol file: 874291-02-8.mol

Synonyms:4-[(ISOPROPYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ISOPROPYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER;4-[(ISOPROPYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER;4-(3-ISOPROPYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER;4-(3-ISOPROPYLUREIDO)PHENYLBORONIC ACID, PINACOL ESTER;1-ISOPROPYL-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA;4-[(Isopropylcarbamoyl)amino]benzeneboronic acid, pinacol ester 98%;urea,N-(1-Methylethy)-N-(4-(4,4,5,5,-TetraMethyl-1,3,2-dioxaborolan-2-yl)pheny)

Chemical Property of 4-[(ISOPROPYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ISOPROPYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER

Chemical Property:

• Vapor Pressure: 1.19E-06mmHg at 25°C
• Melting Point: 234-236 °C
• Refractive Index: 1.515
• Boiling Point: 401.3 °C at 760 mmHg
• PKA: 13.80±0.46(Predicted)
• Flash Point: 196.5 °C
• PSA: 59.59000
• Density: 1.07 g/cm³
• LogP: 2.97960
• Storage Temp.: Keep Cold

Purity/Quality:

99% ^*data from raw suppliers

4-(3-Isopropylureido)phenylboronicacid,pinacolester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

Technology Process of 4-[(ISOPROPYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ISOPROPYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER

There total 2 articles about 4-[(ISOPROPYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ISOPROPYLUREIDO)BENZENEBORONIC 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:

2-(4-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane + isopropylamine (75-31-0) → 1-Propan-2-yl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea (874291-02-8)

Guidance literature:

In 1,2-dimethoxyethane;

DOI:10.1021/jm9013828

Reference yield:

→ 1-Propan-2-yl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea (874291-02-8)

Guidance literature:

Reference yield:

4-(1-(1-benzylpiperidin-4-yl)-6-chloro-1H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine hydrochloride (1062175-07-8) + 1-Propan-2-yl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea (874291-02-8) + trifluoroacetic acid (76-05-1) → 1-{4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl}-3-isopropylurea trifluoroacetate

Guidance literature:

4-(1-(1-benzylpiperidin-4-yl)-6-chloro-1H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine hydrochloride; 1-Propan-2-yl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; water; at 185 ℃; Microwave irradiation;

trifluoroacetic acid; In dimethyl sulfoxide;

DOI:10.1021/jm9013828

upstream raw materials:

isopropylamine

Refernces

• 1、 Verheijen, Jeroen C.,Richard, David J.,Curran, Kevin,Kaplan, Joshua,Lefever, Mark,Nowak, Pawel,Malwitz, David J.,Brooijmans, Natasja,Toral-Barza, Lourdes,Zhang, Wei-Guo,Lucas, Judy,Hollander, Irwin,Ayral-Kaloustian, Semiramis,Mansour, Tarek S.,Yu, Ker,Zask, Arie. "Discovery of 4-morpholino-6-aryl-1H-pyrazolo[3,4-d]pyrimidines as highly potent and selective ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR): Optimization of the 6-aryl substituent". supporting information; experimental part. p. 8010 - 8024. Retrieved 2010/07/04.