Carbonic acid, 1,1-dimethylethyl 2,5-dioxo-1-pyrrolidinyl ester (HCID 83168)

이름 및 식별자

우선 이름: Carbonic acid, 1,1-dimethylethyl 2,5-dioxo-1-pyrrolidinyl ester
IUPAC: tert-butyl (2,5-dioxopyrrolidin-1-yl) carbonate
영어명: BOC-OSU
분자식: C9H13NO5
분자량: 215.2

이름 및 동의어

13139-12-3tert-Butyl N-succinimidyl carbonateCarbonic acid, 1,1-dimethylethyl 2,5-dioxo-1-pyrrolidinyl ester2,5-Pyrrolidinedione, 1-[[(1,1-dimethylethoxy)carbonyl]oxy]-EINECS 236-071-1DTXSID40653612,5-Pyrrolidinedione, 1-(((1,1-dimethylethoxy)carbonyl)oxy)-RefChem:123580DTXCID7034042Boc-OSutert-butyl (2,5-dioxopyrrolidin-1-yl) carbonateN-(tert-Butoxycarbonyloxy)succinimide

이름 더 보기

BOC-ONSUBOC-OSU PURUMBoc-OSu >=98.0% (CHN)LABOTEST-BB LT00645757T-BUTYL N-SUCCINIMIDO CARBONATET-BUTYL N-SUCCINIMIDYL CARBONATEN-succinimide Tert-butyl Carbonate

tert-butyl 2,5-dioxopyrrolidin-1-yl carbonateMFCD00037903tert-Butyl succinimido carbonate2,5-dioxoazolidinyl (tert-butoxy)formate1-[(tert-butoxycarbonyl)oxy]pyrrolidine-2,5-dioneRJ8UGW9ZA6BOC-OSU, tert-Butyl N-succinimidyl carbonatetert-Butyl(2,5-dioxopyrrolidin-1-yl)carbonate

데이터베이스 식별자

CAS: 13139-12-3
PubChem CID: 83168
DTXSID: DTXSID4065361
ChEMBL: CHEMBL4959537
UNII: RJ8UGW9ZA6
EC Number: 236-071-1
Nikkaji: J317.827G

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 72.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 288

물리화학적 성질

녹는점: 95 °C · ~95 °C (dec.)
끓는 점: 272.8 · 272.8±23.0 °C(Predicted)
밀도: 1.26 · 1.26±0.1 g/cm3(Predicted)
저장 조건: -20 °C · -20°C
용해도: sol ether, ethyl acetate, acetone; insol water, petroleum ether.
물리적 상태: 가루
색상: 하얀색
BRN: 1536756 · 1536756
주요 응용: 펩타이드 합성
InChI: InChI=1S/C9H13NO5/c1-9(2,3)14-8(13)15-10-6(11)4-5-7(10)12/h4-5H2,1-3H3
InChIKey: VTGFSVGZCYYHLO-UHFFFAOYSA-N
SMILES: C(ON1C(=O)CCC1=O)(=O)OC(C)(C)C
EPA: 2 · 2,5-Pyrrolidinedione, 1-[[(1,1-dimethylethoxy)carbonyl]oxy]- (13139-12-3)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, 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. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Sens. 1 (100%)

안전 데이터

wgk: 2
tsca: TSCA listed
HS 번호: 29280000
risk_code: 22-43
hazard_code: Xn
safety_code: 36/37-60-37-24
F 고인화성물질: 10-21
Hazard Classifications: Acute Tox. 4 OralSkin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationCarbonic acid, 1,1-dimethylethyl 2,5-dioxo-1-pyrrolidinyl ester: INACTIVE

응용 분야 · 1건

개요Boc-OSu is a reagent in peptide synthesis that protects amino acid amine groups as a selective protecting group. It forms a stable carbamate with the amine in the presence of a base, preventing unwanted reactions. This selective protection and deprotection process is key to the stepwise synthesis of peptides.