CAS 402960-38-7 2-Aminopyrimidine-5-boronic acid, pinacol ester (HCID 17750212)

이름 및 식별자

우선 이름: 2-Aminopyrimidine-5-boronic acid, pinacol ester
IUPAC: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
영어명: 2-Aminopyrimidine-5-boronic Acid Pinacol Ester
분자식: C10H16BN3O2
분자량: 221.06

이름 및 동의어

2-AMINOPYRIMIDINE-5-BORONIC ACID, PINACOL ESTERRefChem:465210689-740-9402960-38-75-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine2-Aminopyrimidine-5-boronic acid pinacol esterMFCD067956855-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-pyrimidin-2-amine2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinamine(2-Aminopyrimidin-5-yl)boronic acid pinacol ester

이름 더 보기

CAS:402960-38-71H-PYRROL-3-OL,1-ETHYL-2-METHYL5-METHOXYTHIOPHENE-2-BORONIC ACID2-AMinopyriMidine-5-boronicacidpinacoleste(2-Aminopyrimidin-5-yl)boronic acid pinaco2-AMINOPYRIMIDINE-5-BORONIC ACID, PICOL ESTER

5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrimidin-2-ylamine5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-ylamine5-(4,4,5,5-tetramethyl-(1,3,2)dioxaborolan-2-yl)-pyrimidin-2-ylamine2-Pyrimidinamine, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-SCHEMBL189971DTXSID00590355BPQVMIDUTRJYSC-UHFFFAOYSA-N5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinylamine

데이터베이스 식별자

CAS: 402960-38-7
PubChem CID: 17750212
DTXSID: DTXSID00590355
EC Number: 689-740-9
Nikkaji: J3.044.290C

물성

구조 계산 물성

극성 표면적: 70.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 249

물리화학적 성질

녹는점: 209 · 209-211°C
끓는 점: 394.8 · 394.8±34.0 °C(Predicted)
밀도: 1.13 · 1.13±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨, 가열)
산도 계수 (pKa): 3.66 · 3.66±0.10(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지
수용성: 물에 약간 용해됩니다. 클로로포름에 용해됩니다.
InChI: InChI=1S/C10H16BN3O2/c1-9(2)10(3,4)16-11(15-9)7-5-13-8(12)14-6-7/h5-6H,1-4H3,(H2,12,13,14)
InChIKey: BPQVMIDUTRJYSC-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(B2OC(C)(C)C(C)(C)O2)C=N1

화학적 성질

Light Beige Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)

안전 데이터

wgk: WGK 3
tsca: No
ridadr: UN 2811 6.1 / PGIII
HS 번호: 2933599590
risk_code: 36/37/38-22-25
hazard_code: Xi,Xn,T
safety_code: 26-36/37/39-36/39-45
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야

용도2-Aminopyrimidine-5-boronic Acid Pinacol Ester is used in the preparation of phosphoinositide-3-kinases (PI3K) inhibitors.

상·하류 제품 정보

상류 원료

하류 제품

2-(TERT-부톡시카르보닐아미노)피리미딘-5-붕소산,피나콜에스테르 (S)-1-[4-[[2-(2-Aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one Cyclobutanecarbonitrile, 1-[6-(2-amino-5-pyrimidinyl)-3-pyridinyl]-

공급사100 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海有米得科技有限公司18964944463 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

上海斐珑化学品有限公司021-68735616 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

화합물 노트

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2-Aminopyrimidine-5-boronic acid, pinacol ester

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