tert-부틸트리메틸실릴아세테이트

1,1-Dimethylethyl trimethylsilylacetate

HCID 99527CAS 41108-81-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)C[Si](C)(C)C
InChIKey: HOHBQWITMXOSOW-UHFFFAOYSA-N
분자식: C9H20O2Si
평균 분자량: 188.34 g/mol
단동위원소 질량: 188.12325641

이름 및 식별자

우선 이름: 1,1-Dimethylethyl trimethylsilylacetate
IUPAC: tert-butyl 2-trimethylsilylacetate
현지명: tert-부틸트리메틸실릴아세테이트
영어명: TERT-BUTYL TRIMETHYLSILYLACETATE
분자식: C9H20O2Si
분자량: 188.34

이름 및 동의어

1,1-Dimethylethyl trimethylsilylacetateEINECS 255-222-2DTXSID00194054NSC 237636RefChem:410244DTXCID10116545255-222-241108-81-0tert-Butyl trimethylsilylacetatetert-butyl 2-trimethylsilylacetateTERT-BUTYL (TRIMETHYLSILYL)ACETATETERT-BUTYL 2-(TRIMETHYLSILYL)ACETATE

이름 더 보기

tert-부틸트리메틸실릴아세테이트(Trimethylsilyl)acetic acid 1,1-dimethylethyl esterAcetic acid, 2-(trimethylsilyl)-, 1,1-dimethylethyl ester

1,1-Dimethylethyl 2-(trimethylsilyl)acetate2-(Trimethylsilyl)acetic Acid 1,1-Dimethylethyl Ester; 1,1-Dimethylethyl (Trimethylsilyl)acetate; NSC 237636; tert-Butyl 2-(Trimethylsilyl)acetate; tert-Butyl alpha-(Trimethylsilyl)acetate92759_ALDRICH, tert-Butyl trimethylsilylacetate, 92759_FLUKA, MolPort-003-939-546, NSC237636, CID99527, EINECS 255-222-2, 1,1-Dimethylethyl trimethylsilylacetate, 41108-81-0NSC237636t-butyltrimethylsilylacetatet-butyl trimethylsilylacetateSCHEMBL9019859Acetic acid, (trimethylsilyl)-, 1,1-dimethylethyl ester

데이터베이스 식별자

CAS: 41108-81-0
PubChem CID: 99527
DTXSID: DTXSID00194054
EC Number: 255-222-2
Nikkaji: J267.305C

물성

구조 계산 물성

극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 162

물리화학적 성질

끓는 점: 67 °C13 · 67 °C13 mm Hg(lit.)
밀도: 0.86 g/mL · 0.86 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.417
인화점: 42 °C · 42 °C
용해도: 클로로포름(용해성), 메탄올(용해성)
물리적 상태: 기름
색상: 무색
BRN: 1930256 · 1930256
InChI: 1S/C9H20O2Si/c1-9(2,3)11-8(10)7-12(4,5)6/h7H2,1-6H3
InChIKey: HOHBQWITMXOSOW-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)C[Si](C)(C)C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 3272 3/PG 3
risk_code: 10
safety_code: 23-24/25
포장분류: III
위험 등급: 3.2
F 고인화성물질: 10-21
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

개요TERT-BUTYL TRIMETHYLSILYLACETATE is used to prepare lithium enolates which can be alkylated; can be alkenated with aldehydes and ketones; can be acylated; can be reacted with Group 14 halides.

용도t-Butyl Trimethylsilylacetate is used to prepare lithium enolates which can be alkylated;can be alkenated with aldehydes and ketones;can be acylated;can be reacted with Group 14 halides.Most applications require initial formation of the enolate (1) (eq 1), which is obtained as a white solid suspended in THF, stable indefinitely at 78°C.

제조 방법 · 1건

an advantage of t-butyl trimethylsilylacetate over its methyl and ethyl ester analogs is that it can be prepared by C-silylation of the lithium enolate of t-butyl acetate at 78°C in THF (85–90% yield). Under the same conditions the enolates of methyl and ethyl acetate give primarily O-silylated products.The reagent has also been prepared by a rapid boron trifluoride etherate catalyzed reaction of trimethylsilylketene with t-butyl alcohol.