기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)N=[N+]=[N-]- InChIKey
ISHLCKAQWKBMAU-UHFFFAOYSA-N- 분자식
- C5H9N3O2
- 평균 분자량
- 143.14 g/mol
- 단동위원소 질량
- 143.06947653
이름 및 식별자
- 우선 이름
- Carbonazidic acid, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl N-diazocarbamate
- 현지명
- tert-부틸아지도포르메이트
- 영어명
- tert-butyl azidoformate
- 분자식
- C5H9N3O2
- 분자량
- 143.14386
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1070-19-5- PubChem CID
- 61256
- DTXSID
DTXSID1061449- EC Number
- 213-972-8
- Nikkaji
- J25.572F
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 40.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 176
물리화학적 성질
- 끓는 점
- 261.22 °C · 261.22°C (rough estimate)
- 밀도
- 1.3172 · 1.3172 (rough estimate)
- 굴절률
- 1.619 · 1.6190 (estimate)
- EPA
- 1 · Carbonazidic acid, 1,1-dimethylethyl ester (1070-19-5)
안전 및 규제
유해성 정보
DOT Hazard Classification
tert-Butoxycarbonyl azide
Forbidden explosives/materials (49 eCFR § 173.54/§ 173.21)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
응용 분야
용도t-Butyl azidoformate is a convenient reagent for the acylation of amines, hydrazines, and similar compounds.
제조 방법
tert-Butyl chloroformate was prepared in solution as follows. Dry phosgene was introduced into a solution of 18 g (0.24 mol) of tert-butyl alcohol in 500 ml of anhydrous ether until about 52 g (0.5 mol) had been absorbed and the mixture was cooled in a Dry Ice-acetone bath. Then a solution of 20 g (0.28 mol) of pyridine in 200 ml of anhydrous ether was added dropwise with vigorous stirring. The reaction mixture was stored overnight in a Dry Ice box. The precipitated pyridine hydrochloride was filtered and the volume of the filtrate was reduced to -70 ml at reduced pressure with cooling in an icewater bath.This cold solution of tert-butyl chloroformate was added over 30 min to a vigorously stirred solution of 31.6 g (0.2 mol) of tetramethylguanidinium azide in 200 ml of chloroform; the temperature was kept at 0°C throughout the addition. The bath was removed and the reaction mixture stirred for an additional hour and then poured into 500 nil of ice water containing -2 ml of acetic acid. Extraction with two 60-ml portions of ether followed by careful evaporation of the dried (magnesium sulfate) organic phase gave tert-butyl azidoformate as a pale amber liquid in quantitative yield.The Direct Preparation of tert-Butyl Azidoformate
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