1-Carbobenzoxy-1,2,3,6-tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
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기본 정보
- CAS
286961-15-7- 표준 SMILES
CC1(C)OB(C2=CCN(C(=O)OCc3ccccc3)CC2)OC1(C)C- InChIKey
QDSFHRPYZPQWEJ-UHFFFAOYSA-N- 분자식
- C19H26BNO4
- 평균 분자량
- 343.2 g/mol
- 단동위원소 질량
- 343.1954885
이름 및 식별자
- 우선 이름
- 1-Carbobenzoxy-1,2,3,6-tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- IUPAC
- benzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
- 영어명
- 4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-3,6-DIHYDRO-2H-PYRIDINE-1-CARBOXYLIC ACID BENZYL ESTER
- 분자식
- C19H26BNO4
- 분자량
- 343.23
이름 및 동의어
1-Carbobenzoxy-1,2,3,6-tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineRefChem:431135854-741-7286961-15-7benzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridine-1(2H)-carboxylateN-Cbz-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol esterBenzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid benzyl esterMFCD11521562benzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridine-1(2H)-carboxylate1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, phenylmethyl esterbenzyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylate
이름 더 보기
Benzyl 4-(4,4,5,5-TetramethN-Cbz-1,2,5,6-tetrahydropyridine-4-boronic acid1-Cbz-1,2,3,6-tetrahydropyridine-4-ylboronic acid picol ester
1-Benzyloxycarbonyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester(1-((BENZYLOXY)CARBONYL)-1,2,3,6-TETRAHYDROPYRIDIN-4-YL)BORONIC ACID PINACOL ESTER1-Cbz-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol EsterN-Cbz-1,2,3,6-tetrahydropyridine-4-boronic acid, pinacol esterN-Cbz-3,6-Dihydro-2H-pyridine-4-boronic acid pinacol esterQDSFHRPYZPQWEJ-UHFFFAOYSA-NBCP14209orb2941087
데이터베이스 식별자
- CAS
286961-15-7- PubChem CID
- 11290836
- DTXSID
DTXSID00461435- EC Number
- 854-741-7
- Nikkaji
- J1.315.434A
물성
구조 계산 물성보충 중
- 극성 표면적
- 48 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 510
물리화학적 성질
- 녹는점
- 88 · 88-90℃
- 끓는 점
- 418.2 · 418.2±55.0 °C(Predicted)
- 밀도
- 1.13 · 1.13
- 저장 조건
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 산도 계수 (pKa)
- -1.26 · -1.26±0.40(Predicted)
- 물리적 상태
- 고체
- 색상
- 회백색
- InChI
- InChI=1S/C19H26BNO4/c1-18(2)19(3,4)25-20(24-18)16-10-12-21(13-11-16)17(22)23-14-15-8-6-5-7-9-15/h5-10H,11-14H2,1-4H3
- InChIKey
- QDSFHRPYZPQWEJ-UHFFFAOYSA-N
- SMILES
- C1N(C(OCC2=CC=CC=C2)=O)CC=C(B2OC(C)(C)C(C)(C)O2)C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H413 (33.3%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (66.7%)；Aquatic Chronic 4 (33.3%)
안전 데이터
- tsca
- No
- HS 번호
- 2933399990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37
화학 및 산업
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
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