Cas no 79775-07-8 ((2S,4R)-4-(tert-butoxy)pyrrolidine-2-carboxylic acid)

(2S,4R)-4-(tert-butoxy)pyrrolidine-2-carboxylic acid structure
79775-07-8 structure
Product Name:(2S,4R)-4-(tert-butoxy)pyrrolidine-2-carboxylic acid
CAS No:79775-07-8
MF:C9H17NO3
MW:187.236182928085
MDL:MFCD01573170
CID:562393
PubChem ID:7408289
Update Time:2024-10-27

(2S,4R)-4-(tert-butoxy)pyrrolidine-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • trans-4-(tert-Butoxy)pyrrolidine-2-carboxylic acid
    • H-Hyp(tBu)-OH
    • H-O-Hyp(tBu)-OH
    • L-Proline,4-(1,1-dimethylethoxy)-, (4R)-
    • O-tert-Butyl-L-trans-4-hydroxyproline
    • O-tert·Butyl-trans-4-hydroxy-L-proline
    • (2S,4R)-4-tert-Butoxypyrrolidine-2-carboxylic acid
    • (2S,4R)-4-(tert-butoxy)pyrrolidine-2-carboxylic acid
    • (4R)-4-(1,1-Dimethylethoxy)-L-proline (ACI)
    • L-Proline, 4-(1,1-dimethylethoxy)-, trans- (ZCI)
    • trans-4-tert-Butoxy-L-proline
    • SCHEMBL2145830
    • O-tert-butyl-trans-4-hydroxy-L-proline
    • CS-0046176
    • MFCD00153445
    • EN300-215911
    • DS-5123
    • (4R)-4-(1,1-Dimethylethoxy)-L-proline
    • 79775-07-8
    • AKOS006274931
    • HY-W053531
    • FD21745
    • Z1198151337
    • AM81838
    • trans-4-(t-butoxy)-l-proline
    • O-tert.Butyl-trans-4-hydroxy-L-proline
    • DTXSID601288429
    • (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic Acid
    • MDL： MFCD01573170
    • Inchi： 1S/C9H17NO3/c1-9(2,3)13-6-4-7(8(11)12)10-5-6/h6-7,10H,4-5H2,1-3H3,(H,11,12)/t6-,7+/m1/s1
    • InChI Key： XTQZONYRNXFGCY-RQJHMYQMSA-N
    • SMILES： O([C@H]1CN[C@H](C(=O)O)C1)C(C)(C)C

Computed Properties

  • Exact Mass: 187.12100
  • Monoisotopic Mass: 187.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 198
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 58.6A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -1.8

Experimental Properties

  • Color/Form: 。
  • Density: 1.10±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 204-206 oC
  • Boiling Point: 300.5°C at 760 mmHg
  • Flash Point: 135.5°C
  • Refractive Index: 1.487
  • Solubility: Dissolution (43 g/l) (25 o C),
  • PSA: 58.56000
  • LogP: 0.94540
  • Solubility: 。

(2S,4R)-4-(tert-butoxy)pyrrolidine-2-carboxylic acid Security Information

  • Storage Condition：Store in cold storage.

(2S,4R)-4-(tert-butoxy)pyrrolidine-2-carboxylic acid Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

(2S,4R)-4-(tert-butoxy)pyrrolidine-2-carboxylic acid Pricemore >>

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(2S,4R)-4-(tert-butoxy)pyrrolidine-2-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: p-Toluenesulfonic acid monohydrate Solvents: Dichloromethane ;  -78 °C; 3 d, -78 °C → rt
1.2 Reagents: Sodium hydroxide Solvents: Water ;  4 h, rt; rt → 0 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ;  30 min, acidified, 0 °C
Reference
Asymmetric α-amination of aldehydes and ketones catalyzed by tert-butoxy-L-proline
Ait-Youcef, Ramzi; et al, Letters in Organic Chemistry, 2009, 6(5), 377-380

(2S,4R)-4-(tert-butoxy)pyrrolidine-2-carboxylic acid Raw materials

(2S,4R)-4-(tert-butoxy)pyrrolidine-2-carboxylic acid Preparation Products

(2S,4R)-4-(tert-butoxy)pyrrolidine-2-carboxylic acid Related Literature

79775-07-8 ((2S,4R)-4-(tert-butoxy)pyrrolidine-2-carboxylic acid) Related Products

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