N-[(tert-ブトキシカルボニル)オキシ]スクシンイミド

Carbonic acid, 1,1-dimethylethyl 2,5-dioxo-1-pyrrolidinyl ester

HCID 83168CAS 13139-12-3

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)(C)OC(=O)ON1C(=O)CCC1=O
InChIKey: VTGFSVGZCYYHLO-UHFFFAOYSA-N
分子式: C9H13NO5
平均分子量: 215.2 g/mol
単同位体質量: 215.07937252

名称と識別子

優先名称: Carbonic acid, 1,1-dimethylethyl 2,5-dioxo-1-pyrrolidinyl ester
IUPAC: tert-butyl (2,5-dioxopyrrolidin-1-yl) carbonate
現地名: N-[(tert-ブトキシカルボニル)オキシ]スクシンイミド
英語名: BOC-OSU
分子式: C9H13NO5
分子量: 215.2

名称と別名

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

名称をさらに表示

N-[(tert-ブトキシカルボニル)オキシ]スクシンイミドN-[(T-ブトキシカルボニル)オキシ]スクシンイミドN-(TERT-ブトキシカルボニルオキシ)スクシンイミド, 98+%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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.6
極性表面積: 72.9 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 15
形式電荷: 0
複雑度: 288

物理化学的性質

融点: 95 °C · ~95 °C (dec.)
沸点: 272.8 · 272.8±23.0 °C(Predicted)
比重(密度): 1.26 · 1.26±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · -20°C
溶解性: sol ether, ethyl acetate, acetone; insol water, petroleum ether.
外見: 粉
色: 白い
BRN: 1536756 · 1536756
主な用途: ペプチド合成
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
CAS データベース: 13139 · 13139-12-3
EPAの化学物質情報: 2 · 2,5-Pyrrolidinedione, 1-[[(1,1-dimethylethoxy)carbonyl]oxy]- (13139-12-3)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

安全データ

F: 10-21
wgk: 2
tsca: TSCA listed
hs_code: 29280000
risk_code: 22-43
hazard_code: Xn
safety_code: 36/37-60-37-24
Hazard Classifications: Acute Tox. 4 OralSkin Sens. 1
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

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

応用分野 · 1 件

説明Boc-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.