5,7-Dichloropyrazolo[1,5-a]pyrimidine

HCID 11074154

기본 정보

CAS
57489-77-7
표준 SMILES
Clc1cc(Cl)n2nccc2n1
InChIKey
JMTFWCYVZOFHLR-UHFFFAOYSA-N
분자식
C6H3Cl2N3
평균 분자량
188.01 g/mol
단동위원소 질량
186.97040246

이름 및 식별자

우선 이름
5,7-Dichloropyrazolo[1,5-a]pyrimidine
IUPAC
5,7-dichloropyrazolo[1,5-a]pyrimidine
영어명
5,7-Dichloropyrazolo[1,5-a]pyrimidine
분자식
C6H3Cl2N3
분자량
188.01

이름 및 동의어

5,7-Dichloropyrazolo[1,5-a]pyrimidine57489-77-75,7-dichloropyrazolo(1,5-a)pyrimidineDTXSID50454231RefChem:298820DTXCID40405050890-692-8MFCD08273918PYRAZOLO[1,5-A]PYRIMIDINE, 5,7-DICHLORO-SCHEMBL29869CHEMBL3747320BDBM50500533
이름 더 보기
oropyrazoLo[1,5-a]pyrimidine7-dichloropyrazolo[15,7-DICHLOROPYRAZOLO[1,5-A]PYRIMIDINE CAS 57489-77-7
AKOS006286728CS-W003486GS-65925,7-Dichloro-pyrazolo[1,5-a]pyrimidineBCP100315,7-DichAM20100408FT-0650393

데이터베이스 식별자

CAS
57489-77-7
PubChem CID
11074154
DTXSID
DTXSID50454231
ChEMBL
CHEMBL3747320
EC Number
890-692-8
Nikkaji
J1.087.013E

물성

구조 계산 물성

XLogP
2.2
극성 표면적
30.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
11

물리화학적 성질

녹는점
68 · 68-71 °C(Solv: ethanol (64-17-5))
밀도
1.69 · 1.69±0.1 g/cm3(Predicted)
저장 조건
2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa)
-1.68 · -1.68±0.30(Predicted)
물리적 상태
Solid
색상
Off-white to yellow

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, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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

HS 번호
2933599590

화학 및 산업

응용 분야 · 1건

용도5,7-Dichloropyrazolo[1,5-a]pyrimidine is a pharmaceutical intermediate compound that can be used in a palladium-catalysed pharmaceutical synthesis cross-coupling reaction. 2,4-Dichloroquinoline reacts with benzylzinc and phenylzinc reagents in the presence of catalytic quantities of palladium complexes to yield only α-substituted products.2,4-Dichloroquinolines have been found to react with benzylzinc and phenylzinc reagents in catalytic amounts of palladium compounds to produce only α-substituted products. LiCl was found to be an effective additive for γ-selective coupling reactions. These α- or γ-selective coupling conditions are applicable to the reaction of 5,7-Dichloropyrazolo[1,5-a]pyrimidine and biphenylmethyl zinc reagents in the synthesis of angiotensin II receptor antagonists. This regioselectivity should be generally applicable to other α,γ-dichloropyrazine systems[1].

공급사100 곳

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
南部县诚信科技有限公司0838-5675166 15883665058 · [email protected]

관련 반응

39건

화합물 노트

불러오는 중…