(2S,4R)-4-Hydroxypyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester

HCID 2734883CAS 74844-91-0
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Basic information

Standard SMILES
COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C
InChIKey
MZMNEDXVUJLQAF-SFYZADRCSA-N
Molecular formula
C11H19NO5
Average molar mass
245.27 g/mol
Monoisotopic mass
245.12632271

Names & identifiers

Preferred name
(2S,4R)-4-Hydroxypyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
IUPAC
1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
English name
N-Boc-trans-4-Hydroxy-L-proline methyl ester
Molecular formula
C11H19NO5
Molecular weight
245.27

Names & synonyms

(2S,4R)-4-HYDROXYPYRROLIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-METHYL ESTERRefChem:39895774844-91-0Boc-Hyp-OMeN-Boc-trans-4-hydroxy-L-proline methyl ester(2S,4R)-1-tert-butyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylaterel-Boc-Hyp-OMe1-tert-butyl 2-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylateMFCD00076981BOC-L-Hydroxyproline methyl ester1145663-09-71-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate
Show more names
1-tert-Butyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylateN-BOC-4-HYDROXY-L-PROLINE METHYL ESTERGOSO-001BoC-Hyp-0meBOC-L-Hyp Methyl esterBOC-HYDROXYPROLINE-OMEN-Boc-trans-4-hydroxy-L
O1-TERT-BUTYL O2-METHYL (2S,4R)-4-HYDROXYPYRROLIDINE-1,2-DICARBOXYLATE1-(tert-Butyl) 2-methyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylateM03218trans-1-tert-Butyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylateN-tert-butoxycarbonyl-L-hydroxyproline methyl esterN-(tert-Butoxycarbonyl)-trans-4-hydroxy-L-proline Methyl EsterBOC-L-HYP-OMEMZMNEDXVUJLQAF-SFYZADRCSA-N

Database identifiers

CAS
74844-91-0
PubChem CID
2734883
DTXSID
DTXSID00370553
Nikkaji
J836.003K

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
76.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
17

Physicochemical properties

Melting point
92 · 92-96 °C (lit.)
alpha
-65 · -65 º (c=1 CHCl3)
Boiling point
132 °C/0.05mmHg · 132°C/0.05mmHg(lit.)
Density
1.216 · 1.216±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
Soluble in chloroform, dichloromethane and ethyl acetate.

Safety & regulation

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29339900
risk_code
20/21/22-36/37/38
Signal word
Danger
Symbol(GHS)
GHS05

Chemistry & industry

Applications · 3 items

UsesA potential iNOS inhibitor.

UsesIt is used in the synthesis of For-Met-Leu-Phe-OMe (fMLF-OMe) analogues based on Met residue replacement by 4-amino-proline scaffold.

Uses(2S,4R)-4-Hydroxypyrrolidine-1,2-dicarboxylic Acid 1-tert-Butyl Ester 2-Methyl Ester roline scaffold.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]

Related reactions

113 records
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Linked notes

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