N-(tert-ブトキシカルボニル)-cis-4-ヒドロキシ-L-プロリンメチル

N-Boc-cis-4-hydroxy-L-proline methyl ester

HCID 10752873
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基本情報

CAS
102195-79-9
標準SMILES
COC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C
InChIKey
MZMNEDXVUJLQAF-YUMQZZPRSA-N
分子式
C11H19NO5
平均分子量
245.27 g/mol
単同位体質量
245.12632271

名称と識別子

優先名称
N-Boc-cis-4-hydroxy-L-proline methyl ester
IUPAC
1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate
現地名
N-(tert-ブトキシカルボニル)-cis-4-ヒドロキシ-L-プロリンメチル
英語名
N-Boc-cis-4-Hydroxy-L-proline methyl ester
分子式
C11H19NO5
分子量
245.27

名称と別名

102195-79-9N-Boc-cis-4-hydroxy-L-proline methyl esterDTXSID50444435RefChem:363495DTXCID50395256627-146-3Boc-cis-Hyp-Ome(2S,4S)-1-tert-butyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate1-tert-Butyl 2-Methyl (2S,4S)-4-Hydroxypyrrolidine-1,2-dicarboxylateMFCD00237541(2S,4S)-4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester1,2-PYRROLIDINEDICARBOXYLIC ACID, 4-HYDROXY-, 1-(1,1-DIMETHYLETHYL) 2-METHYL ESTER, (2S,4S)-
名称をさらに表示
N-(tert-ブトキシカルボニル)-cis-4-ヒドロキシ-L-プロリンメチル(2S,4S)-4-ヒドロキシピロリジン-1,2-ジカルボン酸1-tert-ブチル2-メチルN-Boc-cis-4-ヒドロキシ-L-プロリンメチルN-BOC-CIS-4-ヒドロキシ-L-プロリンメチルエステルN-Boc-cis-Hyp-Omecis-Boc-Hyp-OMeBoc-L-cis-Hyp-OMeBoc-cis-hyp-ome ,97%N-Boc-cis-4-Hydroxy-LBOC-CIS-HYDROXYPROLINE-OME
1-O-tert-butyl 2-O-methyl (2S,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate227935-38-8cis-1-tert-Butyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylateBoc-trans-4-Hydroxy-L-proline methyl esterBOC-CIS-L-HYP-OMEO1-TERT-BUTYL O2-METHYL (2S,4S)-4-HYDROXYPYRROLIDINE-1,2-DICARBOXYLATESCHEMBL85695orb2279158

データベース識別子

CAS
102195-79-9
PubChem CID
10752873
DTXSID
DTXSID50444435
ChEMBL
CHEMBL5305064
EC Number
627-146-3
Nikkaji
J1.509.014F

物性

構造計算による物性

XLogP
0.6
極性表面積
76.1 Ų
水素結合供与体数
1
水素結合受容体数
5
回転可能結合数
4
重原子数
17

物理化学的性質

融点
82 · 82-86 °C (lit.)
沸点
335.2 · 335.2±42.0 °C(Predicted)
比重(密度)
1.216 · 1.216±0.06 g/cm3(Predicted)
貯蔵温度
2 · Sealed in dry,2-8°C
酸解離定数(Pka)
14.27 · 14.27±0.40(Predicted)
外見
powder to crystal

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (89.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；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, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 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 (89.1%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (89.1%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

wgk
2
hs_code
29339900
risk_code
22-36/37/38-43
hazard_code
Xn
safety_code
26-36
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3

化学と産業

応用分野

使用2S,4S)-4-Hydroxypyrrolidine-1,2-dicarboxylic Acid 1-tert-Butyl Ester 2-Methyl Ester oline scaffold.

上流・下流製品情報

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]

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