기본 정보
- CAS
73259-81-1- 표준 SMILES
CC(C)(C)OC(=O)N[C@@H](CN)C(=O)O- InChIKey
KRJLRVZLNABMAT-YFKPBYRVSA-N- 분자식
- C8H16N2O4
- 평균 분자량
- 204.22 g/mol
- 단동위원소 질량
- 204.11100699
이름 및 식별자
- 우선 이름
- Boc-Dap-OH
- IUPAC
- (2S)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- 영어명
- Boc-Dap-OH
- 분자식
- C8H16N2O4
- 분자량
- 204.22
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
73259-81-1- PubChem CID
- 2755946
- DTXSID
DTXSID90373154- Nikkaji
- J741.063H
물성
구조 계산 물성
- XLogP
- -2.7
- 극성 표면적
- 102 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 222
물리화학적 성질
- 녹는점
- 210 °C · 210 °C (dec.)
- 끓는 점
- 364.4 · 364.4±37.0 °C(Predicted)
- 밀도
- 1.189 · 1.189±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- 용해도
- DMSO(소량으로 용해, 난방, 초음파 처리), 물(약간의 가열, 초음파 처리)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 2.88 · 2.88±0.16(Predicted)
- 색상
- 흰색에서 황백색까지
- BRN
- 4182136 · 4182136
- 주요 응용
- 펩타이드 합성
- InChI
- InChI=1S/C8H16N2O4/c1-8(2,3)14-7(13)10-5(4-9)6(11)12/h5H,4,9H2,1-3H3,(H,10,13)(H,11,12)/t5-/m0/s1
- InChIKey
- KRJLRVZLNABMAT-YFKPBYRVSA-N
- SMILES
- C(O)(=O)[C@H](CN)NC(OC(C)(C)C)=O
화학적 성질
White powder
안전 및 규제
안전 데이터
- wgk
- 3
- HS 번호
- 29241990
- safety_code
- 24/25
- 위험 등급
- IRRITANT
- F 고인화성물질
- 10
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Reactant for:Protein assembly directed by synthetic molecular recognition motifsSolid phase synthesis of gramicidin S cyclic analogs with antibiotic and hemolytic activitiesSynthesis of HCV protease inhibitor modified analogsSolid phase synthesis of peptidic V1a receptor agonistsDirected peptide assembly at lipid-water interface
제조 방법
The raw material was dissolved inabsolute ethanol (5 mL), and the reaction flask was immersed in a water bath at 25 C. To the alcoholicsolution, 10% palladium-carbon (22.9 mg) and 1,4-cyclohexadiene (10 equivalents with respect to4; 0.47 mL, 5.0 mmol) were added, and the mixture was allowed to react under magnetic stirringovernight. After filtration over a short pad of Celite 545, the solvent was evaporated under reducedpressure conditions, and the solid residue was partitioned in a 1:1 (v/v) H2O/EtOAc mixture (10 mL).The aqueous phase was separated, back extracted with EtOAc (3 10 mL), concentrated under reducedpressure conditions, and lyophilized.Finally, the target product Boc-Dap-OH is obtained.
공급사100 곳
추가 설명
정의Boc-Dap-OH is an amino acid molecule that is a zwitterion. Therefore, the addition of a base is required to prepare a nucleophilic amino acid. It is commonly acts as a nucleophile to attack the acyl carbon.
관련 반응
화합물 노트
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