Boc-(S)-3-Amino-5-hexynoic acid

Base Information

Chemical Name:Boc-(S)-3-Amino-5-hexynoic acid
CAS No.:270596-47-9
Molecular Formula:C₁₁H₁₇NO₄
Molecular Weight:227.26
Hs Code.:
European Community (EC) Number:635-783-3
Wikidata:Q76148957
Mol file:270596-47-9.mol

Synonyms:270596-47-9;Boc-(S)-3-Amino-5-hexynoic acid;(S)-3-((tert-butoxycarbonyl)amino)hex-5-ynoic acid;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-ynoic Acid;Boc-L-beta-homopropargylglycine;BOC-BETA-HOPRA-OH;Boc-L-b-homopropargylglycine;SCHEMBL16679777;MFCD01861007;AKOS015948815;AC-22137;PS-12344;(S)-3-(Boc-amino)-5-hexynoic acid, 98%;F76800;(S)-3-(tert-butoxycarbonylamino)hex-5-ynoic acid

Suppliers and Price of Boc-(S)-3-Amino-5-hexynoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
Boc-L-beta-homopropargylglycine
25mg
$ 333.00

TRC
Boc-(S)-3-Amino-5-hexynoicAcid
50mg
$ 220.00

Sigma-Aldrich
(S)-3-(Boc-amino)-5-hexynoic acid 98%
250mg
$ 385.00

Matrix Scientific
Boc-(S)-3-amino-5-hexynoic acid
500mg
$ 325.00

Matrix Scientific
Boc-(S)-3-amino-5-hexynoic acid
250mg
$ 211.00

Matrix Scientific
Boc-(S)-3-amino-5-hexynoic acid
1g
$ 500.00

Crysdot
(S)-3-((tert-Butoxycarbonyl)amino)hex-5-ynoicacid 95+%
1g
$ 495.00

Chemenu
(S)-3-((tert-Butoxycarbonyl)amino)hex-5-ynoicacid 95%
1g
$ 468.00

Biosynth Carbosynth
Boc-L-beta-homopropargylglycine
100 mg
$ 160.00

Biosynth Carbosynth
Boc-L-beta-homopropargylglycine
50 mg
$ 100.00

Total 27 raw suppliers

Chemical Property of Boc-(S)-3-Amino-5-hexynoic acid

Chemical Property:

Vapor Pressure:4.72E-07mmHg at 25°C
Refractive Index:1.485
Boiling Point:386.657 °C at 760 mmHg
PKA:4.31±0.10(Predicted)
Flash Point:187.644 °C
PSA：75.63000
Density:1.129 g/cm³
LogP:1.76860
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:227.11575802
Heavy Atom Count:16
Complexity:308

Purity/Quality:

97% ^*data from raw suppliers

Boc-L-beta-homopropargylglycine ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC(CC#C)CC(=O)O
Isomeric SMILES:CC(C)(C)OC(=O)N[C@@H](CC#C)CC(=O)O

Technology Process of Boc-(S)-3-Amino-5-hexynoic acid

There total 5 articles about Boc-(S)-3-Amino-5-hexynoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 81.0%

: C₁₁H₁₅N₃O₃

: 332064-91-2,270596-47-9
(R)-β-(Boc-amino)-5-hexynoic acid

Guidance literature:: C₁₁H₁₅N₃O₃; With sodium hydrogencarbonate; at -5 ℃; for 0.5h;

With silver(I) acetate; triethylamine; at 30 ℃; for 2h;

With hydrogenchloride; In water; at 20 ℃; for 1h; Temperature; Reagent/catalyst;

Reference yield: 78.0%

: C₁₁H₁₅N₃O₃

: 332064-91-2,270596-47-9
(S)-3-(tert-butoxycarbonylamino)hex-5-ynoic acid

Guidance literature:: C₁₁H₁₅N₃O₃; With potassium hydrogencarbonate; at -3 ℃; for 0.583333h;

With 4-methyl-morpholine; silver(l) oxide; at 33 ℃; for 1.7h;

With hydrogenchloride; In water; at 20 ℃; for 1.08333h; Reagent/catalyst; Temperature;

Reference yield:

: C₁₃H₁₉NO₆

: 332064-91-2,270596-47-9
(R)-β-(Boc-amino)-5-hexynoic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: di-isopropyl ether / 0.33 h / -15 - 0 °C

1.2: 0.5 h / 0 °C

2.1: sodium hydrogencarbonate / 0.5 h / -5 °C

2.2: 2 h / 30 °C

2.3: 1 h / 20 °C

With sodium hydrogencarbonate; In di-isopropyl ether; 2.1: |Wolff Rearrangement / 2.2: |Wolff Rearrangement;