기본 정보
- CAS
119838-38-9- 표준 SMILES
CN1C(=O)CN(C(=O)OC(C)(C)C)[C@H]1C(C)(C)C- InChIKey
HJJLVATZPPJBNG-JTQLQIEISA-N- 분자식
- C13H24N2O3
- 평균 분자량
- 256.34 g/mol
- 단동위원소 질량
- 256.17869263
이름 및 식별자
- 우선 이름
- (S)-tert-Butyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate
- IUPAC
- tert-butyl (2S)-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate
- 영어명
- (S)-(-)-1-(TERT-BUTOXYCARBONYL)-2-TERT-BUTYL-3-METHYL-4-IMIDAZOLIDINONE
- 분자식
- C13H24N2O3
- 분자량
- 256.34
이름 및 동의어
119838-38-9(S)-tert-Butyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate(S)-(-)-1-Boc-2-tert-butyl-3-methyl-4-imidazolidinonetert-butyl (2S)-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate(S)-1-Boc-2-tert-butyl-3-methylimidazolidin-4-oneMFCD000751011-Imidazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-3-methyl-4-oxo-, 1,1-dimethylethyl ester, (2S)-(S)-1-tert-Butoxycarbonyl-2-tert-butyl-3-methyl-1,3-imidazolidin-4-one(2S)-2-(1,1-Dimethylethyl)-3-methyl-4-oxo-1-imidazolidinecarboxylic Acid 1,1-Dimethylethyl EsterSCHEMBL1704410DTXSID10350801HJJLVATZPPJBNG-JTQLQIEISA-N
이름 더 보기
S-BOC-BMI(S)-1-BOC-2-TERT-BUTYL-3-METHYL- &(S)-(-)-1-(tert-butoxycarbonyl)-2-T-butyl-3-me-4-(S)-1-BOC-2-TERT-BUTYL-3-METHYL-4-IMIDAZOLIDINONE(S)-2-(tert-Butyl)-1-Boc-3-methylimidazolidin-4-one(S)-(-)-1-BOC-2-TERT-BUTYL-3-METHYL-4-IMIDAZOLIDINONE 99+%(S)-1-Boc-2-tert-butyl-3-methyl-4-imidazolidinone≥ 95% (NMR)(S)-(?)-1-Boc-2-tert-butyl-3-methyl-4-imidazolidinone
CS-M2191(S)-tert-Butyl2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylateAKOS015850696AKOS015915406DS-14758SY116107I11559(s)-1-boc-2-t-butyl-3-methyl-4-imidazolidinone
데이터베이스 식별자
- CAS
119838-38-9- PubChem CID
- 688132
- DTXSID
DTXSID10350801- Nikkaji
- J793.601J
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 49.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 352
물리화학적 성질
- 녹는점
- 67 · 67-69 °C(lit.)
- 끓는 점
- 355.3 · 355.3±35.0 °C(Predicted)
- 밀도
- 1.064 · 1.064±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- -0.6 · -0.60±0.40(Predicted)
- BRN
- 4907144 · 4907144
- 주요 응용
- 펩타이드 합성
- InChI
- InChI=1S/C13H24N2O3/c1-12(2,3)10-14(7)9(16)8-15(10)11(17)18-13(4,5)6/h10H,8H2,1-7H3/t10-/m0/s1
- InChIKey
- HJJLVATZPPJBNG-JTQLQIEISA-N
- SMILES
- [C@@H]1(C(C)(C)C)N(C(OC(C)(C)C)=O)CC(=O)N1C
화학적 성질
White powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- safety_code
- 22-24/25
- F 고인화성물질
- 8-10
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도(2S)-2-(1,1-Dimethylethyl)-3-methyl-4-oxo-1-imidazolidinecarboxylic Acid 1,1-Dimethylethyl Ester is a glycine derivative that is used as starting material for the preparation of open-chain amino acids.
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