(Ｒ)-(-)-ｔｅｒｔ-ロイシノール

(2R)-2-Amino-3,3-dimethylbutan-1-ol

HCID 6932847CAS 112245-09-7

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)(C)[C@@H](N)CO
InChIKey: JBULSURVMXPBNA-YFKPBYRVSA-N
分子式: C6H15NO
平均分子量: 117.19 g/mol
単同位体質量: 117.1153641

名称と識別子

優先名称: (2R)-2-Amino-3,3-dimethylbutan-1-ol
IUPAC: (2R)-2-amino-3,3-dimethylbutan-1-ol
現地名: (Ｒ)-(-)-ｔｅｒｔ-ロイシノール
英語名: (R)-TERT-LEUCINOL
分子式: C6H15NO
分子量: 117.19

名称と別名

(2R)-2-amino-3,3-dimethylbutan-1-olRefChem:397128634-525-7112245-09-7(R)-TERT-LEUCINOLD-tert-Leucinol(R)-2-Amino-3,3-dimethylbutan-1-ol(R)-(-)-tert-LeucinolMFCD01076574H-D-Tle-olr-t-leucinol(R)-2-Amino-3,3-dimethyl-1-butanol

名称をさらに表示

(Ｒ)-(-)-ｔｅｒｔ-ロイシノールD-T-LEUCINOLH-D-(TBU)GLY-OLD-T-BUTYLGLYCINOLD-ALPHA-T-BUTYLGLYCINOLD-tert-Leucinol,99%e.e.

1-Butanol, 2-amino-3,3-dimethyl-, (2R)-SCHEMBL754075AKOS015841170GS-3727EN300-1721713(R)-2-Amino-3,3-dimethyl-1-butanol, 98%, 99% ee(2R)-2-amino-3,3-dimethyl-1-butanolA802520

データベース識別子

CAS: 112245-09-7
PubChem CID: 6932847
DTXSID: DTXSID60426146
EC Number: 634-525-7
Nikkaji: J1.052.699J

物性

構造計算による物性

XLogP: 0.4
極性表面積: 46.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 8
形式電荷: 0
複雑度: 65

物理化学的性質

融点: 30 · 30-33 °C(lit.)
沸点: 70 °C0.4 · 70 °C0.4 mm Hg(lit.)
比重(密度): 0.9 g/mL · 0.9 g/mL at 25 °C(lit.)
闪点: 194 °F · 194 °F
貯蔵温度: 2 · Keep in dark place,Inert atmosphere,2-8°C
外見: 液体
酸解離定数(Pka): 12.88 · 12.88±0.10(Predicted)
色: 無色～黄色
主な用途: ペプチド合成
InChI: InChI=1S/C6H15NO/c1-6(2,3)5(7)4-8/h5,8H,4,7H2,1-3H3/t5-/m0/s1
InChIKey: JBULSURVMXPBNA-YFKPBYRVSA-N
SMILES: C(O)[C@H](N)C(C)(C)C

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 7 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
hs_code: 2922190090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用(R)-Tert-leucinol (H-D-Tle-ol) is a chiral molecular compound with optical activity and its enantiomeric form is (S)-tert-leucinol. (R)-Tert-leucinol belongs to the class of α-amino alcohols, which have certain biological activities and are potent reversible inhibitors of protein synthesis. (R)-Tert-leucinol can be used as a chiral ligand for asymmetric catalytic reactions. Its derivatives are also used as optical splitting reagents, for peptidyl alcohol synthesis in peptide drugs, and as inhibitors of protein hydrolysis.

上流・下流製品情報

上流原料

テトラヒドロフラン水素化リチウムアルミニウム 3,3-ジメチル-2-アミノ酪酸

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