1,1-Dimethylethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

HCID 4376766

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 850568-72-8
표준 SMILES: CC(C)(C)OC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIKey: GNXLDEFJAZGNCJ-UHFFFAOYSA-N
분자식: C17H25BO4
평균 분자량: 304.2 g/mol
단동위원소 질량: 304.18458968

이름 및 식별자

우선 이름: 1,1-Dimethylethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
IUPAC: tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
영어명: tert-Butyl 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
분자식: C17H25BO4
분자량: 304.19

이름 및 동의어

850568-72-8RefChem:4101141,1-Dimethylethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoateTert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate4-(tert-Butoxycarbonyl)phenylboronic acid pinacol esterMFCD034530554-(TERT-BUTOXYCARBONYL)PHENYLBORONIC ACID, PINACOL ESTER4-(tert-Butoxycarbonyl)benzeneboronic acid pinacol estertert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoateAM809174-(Boc-)-phenylboronic acidSCHEMBL900346

이름 더 보기

4-(TERT-BUTOXYCARBONYL)BENZENEBORONIC ACIDT-BUTYL 4-BORONOBENZOATE4-(T-BUTOXYCARBONYL)PHENYLBORONIC ACID4-(TERT-BUTOXYCARBONYL)PHENYLBORONIC ACID4-(t-Butoxycarbonyl)phenylboronicacidpinacolester4-TERT-BUTOXYCARBONYLPHENYLBORONIC ACID PINACOL ESTER4-(Tert-butoxycarbonyl)phenylboronic aci pinacol ester4-(TERT-BUTOXYCARBONYL)BENZENEBORONIC ACID, PINACOL ESTER4-(tert-Butoxycarbonyl)benzeneboronic acid, pinacol ester 97%

DTXSID20402582(4-(TERT-BUTOXYCARBONYL)PHENYL)BORONIC ACID PINACOL ESTERAKOS0159507654-Boc-phenylboronic Acid Pinacol EsterCS-W0121042-Methyl-2-propanyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)-Benzoic Acid 1,1-Dimethylethyl Ester4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid tert-butyl ester

데이터베이스 식별자

CAS: 850568-72-8
PubChem CID: 4376766
DTXSID: DTXSID20402582
Nikkaji: J2.278.417J

물성

구조 계산 물성

극성 표면적: 44.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 22
형식 전하: 0
복잡도: 401

물리화학적 성질

녹는점: 128 · 128-132
끓는 점: 389.1 · 389.1±25.0 °C(Predicted)
밀도: 1.04 · 1.04±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
InChI: 1S/C17H25BO4/c1-15(2,3)20-14(19)12-8-10-13(11-9-12)18-21-16(4,5)17(6,7)22-18/h8-11H,1-7H3
InChIKey: GNXLDEFJAZGNCJ-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)c1ccc(cc1)B2OC(C)(C)C(C)(C)O2