Boc-L-hydroxyproline

• CAS: 13726-69-7
• Catalog Number: ACM13726697
• Category: Other Products
• Molecular Weight: 231.25
• Molecular Formula: C10H17NO5
• Synonyms: (2S,4R)-1-(tert-butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
• IUPAC Name: (2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
• Canonical SMILES: CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)O)O
• InChI: InChI=1S/C10H17NO5/c1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)/t6-,7+/m1/s1
• InChI Key: BENKAPCDIOILGV-RQJHMYQMSA-N
• Boiling Point: 390.9±42.0 °C
• Melting Point: 123-127 °C (lit.)
• Density: 1.312±0.06 g/ml
• Appearance: White to off-white solid
• pKa: 3.80±0.40
• Refractive Index: -68 ° (C=1, MeOH)
• Safety Description: 22-24/25

Custom Q&A

What is the molecular formula of Boc-L-hydroxyproline?

The molecular formula of Boc-L-hydroxyproline is C10H17NO5.

What is the molecular weight of Boc-L-hydroxyproline?

The molecular weight of Boc-L-hydroxyproline is 231.25 g/mol.

What is the IUPAC name of Boc-L-hydroxyproline?

The IUPAC name of Boc-L-hydroxyproline is (2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.

What is the InChI of Boc-L-hydroxyproline?

The InChI of Boc-L-hydroxyproline is InChI=1S/C10H17NO5/c1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)/t6-,7+/m1/s1.

What is the InChIKey of Boc-L-hydroxyproline?

The InChIKey of Boc-L-hydroxyproline is BENKAPCDIOILGV-RQJHMYQMSA-N.

What is the Canonical SMILES of Boc-L-hydroxyproline?

The Canonical SMILES of Boc-L-hydroxyproline is CC(C)(C)OC(=O)N1CC(CC1C(=O)O)O.

What is the XLogP3-AA value of Boc-L-hydroxyproline?

The XLogP3-AA value of Boc-L-hydroxyproline is 0.3.

How many hydrogen bond donor counts are there in Boc-L-hydroxyproline?

There are 2 hydrogen bond donor counts in Boc-L-hydroxyproline.

How many hydrogen bond acceptor counts are there in Boc-L-hydroxyproline?

There are 5 hydrogen bond acceptor counts in Boc-L-hydroxyproline.

Synthetic Use

Downstream Synthesis Route 1

• 64-17-5
• 13726-69-7

• 37813-30-2

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2000, vol. 10, # 14, p. 1511 - 1514
[2] Patent: US2005/165065, 2005, A1, . Location in patent: Page/Page column 21

Downstream Synthesis Route 2

• 74-96-4
• 13726-69-7

• 37813-30-2

Reference: [1] Chemistry Letters, 2006, vol. 35, # 3, p. 300 - 301
[2] Chemistry Letters, 2001, # 7, p. 634 - 635

Downstream Synthesis Route 3

• 13726-69-7
• 75-03-6

• 37813-30-2

Reference: [1] Patent: WO2004/76407, 2004, A2, . Location in patent: Page 27-29

Downstream Synthesis Route 4

• 100-39-0
• 13726-69-7

• 40350-83-2

Reference: [1]European Journal of Organic Chemistry,2014,vol. 2014,p. 5351 - 5355

Downstream Synthesis Route 5

• 13726-69-7

• 61478-26-0

Reference: [1]Patent: US2005/239826,2005,A1 .Location in patent: Page/Page column 27

Downstream Synthesis Route 6

• 13726-69-7

• 84348-37-8

Reference: [1]Patent: WO2015/19238,2015,A1 .Location in patent: Page/Page column 9

* For details of the synthesis route, please refer to the original source to ensure accuracy.